SCHEMBL9486358

SCHEMBL9486358

CNCCC1(C)CCCc2ccc(OC)cc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP3A4 P08684 1/20 0.44
KDM1A O60341 1/20 0.42
POLA1 P09884 4/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL30327476 1.00 SIGMAR1 (0.46) SIGMAR1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL20245480 0.82 KDM4E (0.40) MTNR1AMTNR1B
SCHEMBL13627306 0.81 TACR1 (0.43) SIGMAR1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL11033750 0.81 SIGMAR1 (0.46) SIGMAR1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL3431949 0.78 POLA1 (0.49) SIGMAR1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL9487217 0.78 SMN1; SMN2 (0.45) SIGMAR1CYP3A4MTNR1AMTNR1BSMN1; SMN2
Hydrochloric Acid SCHEMBL11647752 0.77 SMN1; SMN2 (0.44) SIGMAR1CYP3A4MTNR1AMTNR1BSMN1; SMN2
SCHEMBL28735232 0.77 SIGMAR1 (0.45) SIGMAR1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL29118401 0.77 SIGMAR1 (0.45) SIGMAR1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL9487477 0.76 POLA1 (0.42) SIGMAR1CYP2C9TSHRCYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384917-B1 (+)-OR (+)-1-(2-N-SUBSTITUTED AMINOETHYL)-1-METHYL-7-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALENE, AND PROCESS FOR PRODUCTION THEREOF Nihon Iyakuhin Kogyo Co., Ltd. (JP) 1993-01-13 EP claimed
EP-0384917-A1 (+)-Or (+)-1-(2-N-substituted aminoethyl)-1-methyl-7-methoxy-1,2,3,4-tetrahydronaphthalene, and process for production thereof Nihon Iyakuhin Kogyo Co., Ltd. (JP) 1990-09-05 EP claimed
CN-113087622-B Preparation method of eptazocine intermediate 广州一品红制药有限公司 2023-03-31 CN disclosed
CN-113087622-B Preparation method of eptazocine intermediate 广州一品红制药有限公司 2023-03-31 CN disclosed
CN-113087622-A Preparation method of eptazocine intermediate 广州一品红制药有限公司 2021-07-09 CN disclosed
CN-113087622-A Preparation method of eptazocine intermediate 广州一品红制药有限公司 2021-07-09 CN disclosed
EP-0384917-B1 (+)-OR (+)-1-(2-N-SUBSTITUTED AMINOETHYL)-1-METHYL-7-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALENE, AND PROCESS FOR PRODUCTION THEREOF Nihon Iyakuhin Kogyo Co., Ltd. (JP) 1993-01-13 EP disclosed
EP-0384917-A1 (+)-Or (+)-1-(2-N-substituted aminoethyl)-1-methyl-7-methoxy-1,2,3,4-tetrahydronaphthalene, and process for production thereof Nihon Iyakuhin Kogyo Co., Ltd. (JP) 1990-09-05 EP disclosed