SCHEMBL6160544

SCHEMBL6160544

CC(C)(C)OC(=O)N1CCC(O)(c2cccc(Cc3ccc(F)cc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
TACR1 P25103 1/20 0.46
OPRL1 P41146 1/20 0.46
RORC P51449 2/20 0.45
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
PARP1 P09874 4/20 0.43
TNKS O95271 2/20 0.43
TNKS2 Q9H2K2 2/20 0.43
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
USP30 Q70CQ3 1/20 0.42
MC4R P32245 1/20 0.41

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
SCHEMBL3045886 0.89 CNR1 (0.49) CNR1CNR2TACR1OPRL1RORC
SCHEMBL4412901 0.85 OPRD1 (0.51) TACR1OPRD1OPRK1TSHRALOX15
SCHEMBL4293214 0.84 OPRM1 (0.49) TACR1OPRL1RORCOPRD1OPRK1
SCHEMBL3266179 0.82 RORC (0.51) RORCHDAC1HDAC2
SCHEMBL7831565 0.79 GPR119 (0.54) TACR1OPRL1OPRD1OPRK1TSHR
SCHEMBL2591944 0.78 TACR1 (0.50) TACR1OPRD1OPRK1TSHRALOX15
SCHEMBL13660794 0.78 TACR1 (0.56) TACR1OPRL1OPRD1OPRK1TSHR
SCHEMBL1239091 0.78 RORC (0.48) CNR1CNR2RORCHDAC1HDAC2
SCHEMBL19690249 0.78 TSHR (0.46) TACR1RORCOPRD1OPRK1TSHR
SCHEMBL521464 0.78 NR1H2 (0.48) TACR1OPRD1OPRK1TSHRALOX15

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-0755923-B1 Ameliorant or remedy for symptoms caused by Ischemic diseases and Phenylpiperidine compounds useful therefor DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
US-6469010-B1 COMPOSITION ALSO FOR ALLEVIATION OR TREATMENT OF SYMPTOMS DERIVED FROM SEIZURES, EPILEPSY AND MIGRAINE HEADACHES, AND SUPPRESSION OF CALCIUM ION OVERLOAD SUNTORY LIMITED (JP) 2002-10-22 US disclosed
US-6048876-A ANTICONVULSANTS; ANTIEPILEPIC AGENT SUNTORY LIMITED (JP) 2000-04-11 US disclosed
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 EP disclosed