SCHEMBL7458948

SCHEMBL7458948

COC(=O)[C@]12CCC[C@H](CC1)N2C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
OPRL1 P41146 2/20 0.34
OPRD1 P41143 1/20 0.34
MAPT P10636 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
OPRM1 P35372 1/20 0.31

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
SCHEMBL20221547 0.93 NPSR1 (0.34) NPSR1OPRL1OPRD1MAPT
SCHEMBL19257936 0.80 SLC6A9 (0.30)
SCHEMBL15758249 0.80 SLC6A9 (0.30)
SCHEMBL30069183 0.78 CHRM2 (0.36) CHRM2CHRM1CHRM3
SCHEMBL19209345 0.76 CYP1A2 (0.32)
SCHEMBL7349981 0.76 LMNA (0.32) CHRM2CHRM1CHRM3
SCHEMBL5050871 0.75 SIGMAR1 (0.31)
SCHEMBL29551242 0.75 SIGMAR1 (0.31)
SCHEMBL10002507 0.74 POLB (0.33)
SCHEMBL19209381 0.74 CHRM2 (0.38) MAPTCHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116322655-A Soft gel capsule for regulating release R·P·谢勒技术有限公司 2023-06-23 CN disclosed
CN-110551027-B Synthetic method of 3-hydroxy-2-phenylpropionic acid 南京理工大学 2022-03-22 CN disclosed
CN-107001213-A Preparation method and purification method of organic fluorinated aliphatic compound 财团法人峨山社会福祉财团 2017-08-01 CN disclosed
EP-1021205-A4 SYNTHESIS OF FERROCENYL PHENYLTROPANE ANALOGS AND THEIR RADIO-TRANSFORMATION TO TECHNETIUM NEUROPROBES FOR MAPPING MONOAMINE REUPTAKE SITES AMERSHAM PLC (GB) 2002-05-02 EP disclosed
EP-1021205-A1 SYNTHESIS OF FERROCENYL PHENYLTROPANE ANALOGS AND THEIR RADIO-TRANSFORMATION TO TECHNETIUM NEUROPROBES FOR MAPPING MONOAMINE REUPTAKE SITES NYCOMED AMERSHAM PLC (US) 2000-07-26 EP disclosed
EP-0993301-A4 COCAINE RECEPTOR BINDING LIGANDS RES TRIANGLE INST (US) 2000-04-19 EP disclosed
EP-0993301-A1 COCAINE RECEPTOR BINDING LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2000-04-19 EP disclosed
WO-1998007427-A1 COCAINE RECEPTOR BINDING LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 1998-02-26 WO disclosed
WO-1997047328-A1 SYNTHESIS OF FERROCENYL PHENYLTROPANE ANALOGS AND THEIR RADIO-TRANSFORMATION TO TECHNETIUM NEUROPROBES FOR MAPPING MONOAMINE REUPTAKE SITES NYCOMED AMERSHAM PLC (US) 1997-12-18 WO disclosed