SCHEMBL19780933

SCHEMBL19780933

NCC1CCC(CNCC2CCC(CN)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.48
PLG P00747 1/20 0.48
PLAT P00750 1/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.44
NCF1 P14598 1/20 0.40
SAT1 P21673 1/20 0.39
TPSAB1 Q15661 2/20 0.38
TPSD1 Q9BZJ3 2/20 0.38
TPSG1 Q9NRR2 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
KDM1A O60341 1/20 0.32

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
SCHEMBL19933010 0.92 CYP2D6 (0.53) CYP2D6PLGPLATLMNATDP1
SCHEMBL19769337 0.88 SAT1 (0.42) CYP2D6PLGPLATLMNATDP1
SCHEMBL17592442 0.85 SAT1 (0.54) CYP2D6PLGPLATLMNATDP1
SCHEMBL17592440 0.85 SAT1 (0.54) CYP2D6PLGPLATLMNATDP1
SCHEMBL18232481 0.84 CYP2D6 (0.39) CYP2D6PLGPLATLMNATDP1
SCHEMBL1007436 0.84
SCHEMBL11597871 0.83 SAT1 (0.42) CYP2D6PLGPLATLMNATDP1
SCHEMBL11597194 0.81 SAT1 (0.50) CYP2D6PLGPLATLMNATDP1
SCHEMBL11046913 0.81 CYP2D6 (0.40) CYP2D6PLGPLATLMNATDP1
Hydrochloric Acid SCHEMBL5395215 0.81 SAT1 (0.46) CYP2D6TDP1SAT1MEN1TP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118388350-A Method for synthesizing 1, 4-cyclohexanediamine 江苏清泉化学股份有限公司 2024-07-26 CN disclosed
CN-118287078-A Ammonification catalyst, preparation method thereof and method for preparing cyclohexanedimethylamine by ammonification of cyclohexanedimethanol 中国石油化工股份有限公司 2024-07-05 CN disclosed
CN-110981705-B Method for preparing cyclohexane dimethylamine 万华化学集团股份有限公司 2022-08-05 CN disclosed
US-10385166-B2 Polyamide resin, polyamide resin composition containing same, preparation method therefor, and molded product including same LOTTE ADVANCED MATERIALS CO., LTD. (KR) 2019-08-20 US disclosed
US-20180016394-A1 Polyamide Resin, Polyamide Resin Composition Containing Same, Preparation Method Therefor, and Molded Product Including Same LOTTE ADVANCED MATERIALS CO., LTD. (KR) 2018-01-18 US disclosed