SCHEMBL9304060

SCHEMBL9304060

CN(CCc1ccc(O)cc1)C(C)(C)CCC1(c2ccccc2)CC(=O)NC(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
OPRM1 P35372 9/20 0.34
OPRD1 P41143 4/20 0.34
OPRK1 P41145 4/20 0.34
ESRRG P62508 1/20 0.34
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
OPRL1 P41146 2/20 0.32
MTOR P42345 1/20 0.32
FDPS P14324 1/20 0.31
NR1H3 Q13133 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31
TACR1 P25103 1/20 0.31
SLC6A4 P31645 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
SCHEMBL9304790 0.92 TAAR1 (0.36) OPRM1OPRL1FDPSTACR1SLC6A4
SCHEMBL9303673 0.90 CNR2 (0.34) OPRM1OPRL1TACR1
SCHEMBL9304467 0.89 UTS2R (0.35)
SCHEMBL9302750 0.81 DDB1 (0.37) OPRM1OPRL1TACR1SLC6A4
SCHEMBL9869620 0.72 SIGMAR1 (0.49) FDPSSLC6A4
SCHEMBL9304044 0.71 SIGMAR1 (0.42) SLC6A4
SCHEMBL9303006 0.69 LMNA (0.37) OPRM1OPRL1TACR1SLC6A4
SCHEMBL9304202 0.66 SIGMAR1 (0.46)
SCHEMBL9303707 0.66 SCN1A (0.38) SLC6A4
SCHEMBL9467170 0.63 TSHR (0.47) KDM4EOPRM1OPRL1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0505379-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 1994-07-20 EP disclosed
US-5300516-A Muscarinic receptor antagonists PFIZER INC. (US) 1994-04-05 US disclosed