SCHEMBL11565288

SCHEMBL11565288

CC1CC(Nc2ccccc2)(C(=O)O)CCN1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 2/20 0.44
NPFFR2 Q9Y5X5 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
GRM6 O15303 1/20 0.41
FAAH O00519 1/20 0.40
BACE1 P56817 1/20 0.40
MAPT P10636 2/20 0.39
ACHE P22303 2/20 0.39
BCHE P06276 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38

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
SCHEMBL28791743 0.79 HRH2 (0.41) SIGMAR1BACE1MAPTHRH2TMEM97
SCHEMBL2985624 0.78 NPFFR1 (0.62) NPFFR1NPFFR2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL5240984 0.77 NPFFR1 (0.61) NPFFR1NPFFR2OPRM1OPRD1OPRK1
SCHEMBL6045494 0.77 NPFFR1 (0.61) NPFFR1NPFFR2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL11455282 0.77 NPFFR1 (0.61) NPFFR1NPFFR2OPRM1OPRD1OPRK1
SCHEMBL6045741 0.77 SMN1; SMN2 (0.55) OPRM1SIGMAR1BACE1MAPTCA12
SCHEMBL11567766 0.74 CA12 (0.42) NPFFR1NPFFR2OPRM1OPRD1OPRK1
SCHEMBL16862197 0.73 CYP2D6 (0.51) ALDH1A1CYP2D6BACE1MAPT
SCHEMBL3171094 0.73 NPFFR1 (0.60) NPFFR1NPFFR2OPRM1OPRD1OPRK1
SCHEMBL27538171 0.73 MAPT (0.43) OPRM1SIGMAR1BACE1MAPTTMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed