SCHEMBL6007971

SCHEMBL6007971

C[C@@H](c1ccccc1)N1CC2CC2(C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 1/20 0.45
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MC4R P32245 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
HSD11B1 P28845 1/20 0.39
MAPT P10636 1/20 0.39
DRD4 P21917 1/20 0.37
MAPK1 P28482 1/20 0.37
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36

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
SCHEMBL16909708 0.87 KMT2A (0.41) CYP2D6KMT2AOPRM1OPRD1OPRK1
SCHEMBL23513717 0.78 MAPT (0.33) HTR2AHTR2CHRH1HTR2BMAPT
SCHEMBL3816525 0.77 KMT2A (0.42) CYP2D6KMT2AOPRM1OPRD1OPRK1
SCHEMBL4128850 0.77 KMT2A (0.42) CYP2D6KMT2AOPRM1OPRD1OPRK1
SCHEMBL3816528 0.77 KMT2A (0.42) CYP2D6KMT2AOPRM1OPRD1OPRK1
Ammonia Solution, Strong SCHEMBL4506501 0.76 CYP2D6 (0.50) CYP2D6KMT2AOPRM1OPRD1OPRK1
SCHEMBL4187954 0.74 CYP2D6 (0.45) CYP2D6KMT2AOPRM1OPRD1OPRK1
SCHEMBL4182073 0.74 CYP2D6 (0.45) CYP2D6KMT2AOPRM1OPRD1OPRK1
SCHEMBL3976441 0.74 CYP2D6 (0.45) CYP2D6KMT2AOPRM1OPRD1OPRK1
SCHEMBL4673412 0.74 KCNA3 (0.43) CYP2D6OPRM1OPRD1OPRK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0924213-B1 PYRIDOBENZOXAZINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2006-06-28 EP disclosed
EP-0807630-B1 HETEROCYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2003-05-07 EP disclosed
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
US-6191129-B1 MICROBIOCIDES, BACTERICIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-02-20 US disclosed
EP-0924213-A1 PYRIDOBENZOXAZINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-06-23 EP disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed