SCHEMBL11566955

SCHEMBL11566955

COCC1(Nc2ccccc2)CCN(CCc2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 3/20 0.53
NPFFR2 Q9Y5X5 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA4 P22748 5/20 0.44
CA5A P35218 5/20 0.44
CA7 P43166 5/20 0.44
CA9 Q16790 5/20 0.44
CA13 Q8N1Q1 5/20 0.44
CA14 Q9ULX7 5/20 0.44
OPRM1 P35372 2/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCR3 P51677 1/20 0.42
KCNH2 Q12809 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
SCHEMBL9148987 0.92 NPFFR1 (0.61) NPFFR1NPFFR2SMN1; SMN2CA12CA1
Hydrochloric Acid SCHEMBL11565432 0.90 NPFFR1 (0.60) NPFFR1NPFFR2SMN1; SMN2CA12CA1
SCHEMBL11566486 0.88 SIGMAR1 (0.55) NPFFR1NPFFR2SMN1; SMN2OPRM1OPRD1
SCHEMBL11566761 0.85 NPFFR1 (0.54) NPFFR1NPFFR2SMN1; SMN2CA12CA1
SCHEMBL11564641 0.84 NPFFR1 (0.53) NPFFR1NPFFR2SMN1; SMN2SIGMAR1
SCHEMBL11563945 0.84 NPFFR1 (0.53) NPFFR1NPFFR2SMN1; SMN2CA12CA1
SCHEMBL11567248 0.84 SIGMAR1 (0.55) NPFFR1NPFFR2SMN1; SMN2OPRM1OPRD1
SCHEMBL11567994 0.82 HRH3 (0.52) NPFFR1NPFFR2SMN1; SMN2CA12CA1
SCHEMBL3167579 0.81 NPFFR1 (0.60) NPFFR1NPFFR2OPRM1OPRK1MEN1
SCHEMBL11568096 0.81 SIGMAR1 (0.55) NPFFR1NPFFR2SMN1; SMN2OPRM1KCNH2

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