SCHEMBL9721995

SCHEMBL9721995

CC(C)(C)c1ccc(CNCc2cccc3ccccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC5R P33032 2/20 0.61
MAPK1 P28482 1/20 0.61
LMNA P02545 2/20 0.59
NR1I2 O75469 1/20 0.59
ADRA2A P08913 1/20 0.59
CYP2D6 P10635 1/20 0.59
ACHE P22303 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR2A P28223 1/20 0.59
SLC6A4 P31645 1/20 0.59
KCNH2 Q12809 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
HPGD P15428 2/20 0.53
MC1R Q01726 1/20 0.49
CYP19A1 P11511 1/20 0.47
SMPD1 P17405 1/20 0.47
DNM1 Q05193 1/20 0.46
CA2 P00918 3/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30029284 1.00 MC5R (0.61) MC5RMAPK1LMNANR1I2ADRA2A
SCHEMBL4159646 0.87 HTR2A (0.56) MC5RMAPK1LMNANR1I2ADRA2A
SCHEMBL6858815 0.84 LMNA (0.56) MC5RMAPK1LMNANR1I2ADRA2A
SCHEMBL30482193 0.82 MC5R (0.70) MC5RMAPK1CYP2D6KMT2AMEN1
SCHEMBL2865597 0.82 MC5R (0.70) MC5RMAPK1CYP2D6KMT2AMEN1
SCHEMBL4159641 0.80 KMT2A (0.69) LMNANR1I2ADRA2ACYP2D6ACHE
SCHEMBL6008064 0.80 MC5R (0.70) MC5RMAPK1CYP2D6KMT2AMEN1
SCHEMBL3242373 0.80 MC5R (0.67) MC5RMAPK1LMNACYP2D6KMT2A
SCHEMBL15130991 0.80 MC5R (0.67) MC5RMAPK1LMNAKMT2AMEN1
SCHEMBL21296202 0.80 MC5R (0.67) MC5RMAPK1KMT2AMEN1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403485-A Butenafine intermediate compound 山东新时代药业有限公司 2022-11-29 CN claimed
CN-113493385-A Method for synthesizing butenafine hydrochloride 鲁南制药集团股份有限公司 2021-10-12 CN claimed
EP-0310122-B1 ANTIFUNGAL COMPOSITION KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-07-24 EP claimed
EP-0310122-A1 Antifungal composition KAKEN PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP claimed
JP-63277650-A None JP disclosed
CN-113493385-B Method for synthesizing butenafine hydrochloride 鲁南制药集团股份有限公司 2024-03-15 CN disclosed
CN-113493385-B Method for synthesizing butenafine hydrochloride 鲁南制药集团股份有限公司 2024-03-15 CN disclosed
CN-115403485-A Butenafine intermediate compound 山东新时代药业有限公司 2022-11-29 CN disclosed
CN-115403485-A Butenafine intermediate compound 山东新时代药业有限公司 2022-11-29 CN disclosed
CN-113493385-A Method for synthesizing butenafine hydrochloride 鲁南制药集团股份有限公司 2021-10-12 CN disclosed
CN-113493385-A Method for synthesizing butenafine hydrochloride 鲁南制药集团股份有限公司 2021-10-12 CN disclosed
EP-3765004-A1 ANTIFUNGAL SOLUTION AND FOOT WIPE Pell Skin Co., LLC (US) 2021-01-20 EP disclosed
WO-2019178366-A1 ANTIFUNGAL SOLUTION AND FOOT WIPE PELLI SKIN CO., LLC (US) 2019-09-19 WO disclosed
CN-105130823-B A kind of method of synthesis butenafine 中国科学技术大学 2017-03-01 CN disclosed
US-5120735-A Synergistic mixture of miconazole, ketoconazole or fluconazole and N-4-tertbutylbenzyl-N-methyl-1-naphthalenemethylamine KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-06-09 US disclosed
EP-0310122-B1 ANTIFUNGAL COMPOSITION KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-07-24 EP disclosed
EP-0221781-B1 BENZYLAMINE DERIVATIVES, PROCESS FOR PRODUCTION THEREOF, AND USE THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-05-02 EP disclosed
US-4822822-A FUNGICIDES FOR PLANTS AND ANIMALS MITSUI TOATSU CHEMICALS, INC. (JP) 1989-04-18 US disclosed
EP-0310122-A1 Antifungal composition KAKEN PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP disclosed
JP-S63277650-A TERTIARY AMINE DERIVATIVE, PRODUCTION THEREOF AND GERMICIDE FOR FARE AND GARDEN NISSAN CHEM IND LTD 1988-11-15 JP disclosed