SCHEMBL6968059

SCHEMBL6968059

N#Cc1ccc2[nH]cc(C3CCN(CC4CN(c5ccc(F)cc5)C(=O)O4)CC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48
SLC6A4 P31645 7/20 0.46
KCNH2 Q12809 1/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43

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
SCHEMBL6957106 1.00 DRD2 (0.48) DRD2DRD4DRD3OPRM1OPRK1
SCHEMBL6956812 1.00 DRD2 (0.48) DRD2DRD4DRD3OPRM1OPRK1
SCHEMBL6956151 0.95 OPRM1 (0.52) DRD2DRD4DRD3OPRM1OPRK1
SCHEMBL6965715 0.95 OPRM1 (0.52) DRD2DRD4DRD3OPRM1OPRK1
SCHEMBL6968341 0.95 OPRM1 (0.52) DRD2DRD4DRD3OPRM1OPRK1
SCHEMBL6964919 0.95 SLC6A4 (0.48) SLC6A4KCNH2GABRPGABRDGABRA1
SCHEMBL6967736 0.95 SLC6A4 (0.48) SLC6A4KCNH2GABRPGABRDGABRA1
SCHEMBL6966803 0.95 SLC6A4 (0.48) SLC6A4KCNH2GABRPGABRDGABRA1
SCHEMBL6962326 0.92 SLC6A4 (0.47) DRD2DRD4DRD3OPRM1OPRK1
SCHEMBL6956398 0.90 DRD2 (0.49) DRD2DRD3OPRM1OPRK1OPRL1

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-0964863-B1 OXAZOLIDINES AS 5-HT2A-ANTAGONISTS MERCK PATENT GMBH (DE) 2003-05-21 EP disclosed
US-6462056-B1 SUCH AS 3-(4-CHLOROPHENYL)-5-(4-(3-INDOLYL)-1-PIPERIDINYL-METHYL)OXAZOLIDIN-2-ONE; 5-HT2A ANTAGONISTS WITH 5-HT REUPTAKE INHIBITING, ANTIDEPRESSANT OR ANXIOLYTIC EFFECT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2002-10-08 US disclosed