SCHEMBL7024082

SCHEMBL7024082

NC(=O)[C@H]1CCCCN1CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.44
CNR1 P21554 4/20 0.44
HSD11B1 P28845 1/20 0.39
GRM2 Q14416 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2C P18825 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
SCN3A Q9NY46 1/20 0.34
GBA1 P04062 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
LMNA P02545 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL7679006 1.00 CNR2 (0.44) CNR2CNR1HSD11B1GRM2SMN1; SMN2
SCHEMBL9152632 0.94 CNR2 (0.43) CNR2CNR1HSD11B1GRM2SMN1; SMN2
SCHEMBL9152644 0.94 CNR2 (0.43) CNR2CNR1HSD11B1GRM2SMN1; SMN2
SCHEMBL13257040 0.89 HSD11B1 (0.52) CNR2CNR1HSD11B1GRM2SMN1; SMN2
SCHEMBL3712881 0.83 GRM2 (0.46) CNR2CNR1HSD11B1GRM2SMN1; SMN2
SCHEMBL16239057 0.83 GRM2 (0.46) CNR2CNR1HSD11B1GRM2SMN1; SMN2
SCHEMBL13284759 0.83 HSD11B1 (0.56) CNR2CNR1HSD11B1POLBSPHK1
SCHEMBL3898662 0.82 HSD11B1 (0.38) CNR2CNR1HSD11B1GRM2POLB
SCHEMBL3898665 0.82 HSD11B1 (0.38) CNR2CNR1HSD11B1GRM2POLB
SCHEMBL23279350 0.79 SMN1; SMN2 (0.44) HSD11B1SMN1; SMN2POLBSPHK1SCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed