SCHEMBL11565221

SCHEMBL11565221

COCC1(Nc2ccccc2)CCN(CCc2ccco2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 6/20 0.47
NPFFR2 Q9Y5X5 6/20 0.47
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA13 Q8N1Q1 2/20 0.37
CA14 Q9ULX7 2/20 0.37

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 0.83 NPFFR1 (0.61) NPFFR1NPFFR2OPRM1OPRD1SMN1; SMN2
Hydrochloric Acid SCHEMBL11565432 0.82 NPFFR1 (0.60) NPFFR1NPFFR2OPRM1OPRD1SMN1; SMN2
SCHEMBL781667 0.80 OPRM1 (0.55) NPFFR1NPFFR2OPRM1OPRD1SMN1; SMN2
SCHEMBL11564641 0.79 NPFFR1 (0.53) NPFFR1NPFFR2SMN1; SMN2SIGMAR1
Hydrochloric Acid SCHEMBL11563478 0.79 OPRM1 (0.54) NPFFR1NPFFR2OPRM1OPRD1SMN1; SMN2
SCHEMBL11569035 0.78 DRD2 (0.46) NPFFR1NPFFR2OPRM1SIGMAR1
SCHEMBL11568672 0.78 NPFFR1 (0.44) NPFFR1NPFFR2SMN1; SMN2MEN1KMT2A
SCHEMBL11566633 0.78 NPFFR1 (0.45) NPFFR1NPFFR2OPRM1OPRD1SMN1; SMN2
SCHEMBL11566486 0.78 SIGMAR1 (0.55) NPFFR1NPFFR2OPRM1OPRD1SMN1; SMN2
SCHEMBL11566955 0.78 NPFFR1 (0.53) NPFFR1NPFFR2OPRM1OPRD1SMN1; SMN2

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