SCHEMBL11567708

SCHEMBL11567708

CCC(=O)C1(Nc2ccccc2)CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 1/20 0.44
NPFFR2 Q9Y5X5 1/20 0.44
OPRM1 P35372 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
CTSK P43235 2/20 0.40
CYP3A4 P08684 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC1 Q13547 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3210914 0.82 CYP1A2 (0.51) NPFFR1NPFFR2OPRM1CYP1A2CYP2D6
SCHEMBL1035137 0.81 OPRM1 (0.60) NPFFR1NPFFR2OPRM1CYP1A2CYP2D6
SCHEMBL11455113 0.80 OPRM1 (0.48) NPFFR1NPFFR2OPRM1CYP1A2CYP2D6
SCHEMBL654160 0.80 KDM4E (0.51) NPFFR1NPFFR2OPRM1CYP1A2CYP2D6
SCHEMBL782996 0.78 CYP1A2 (0.51) NPFFR1NPFFR2CYP1A2CYP2D6CYP3A4
SCHEMBL12756274 0.77 NPFFR1 (0.45) NPFFR1NPFFR2OPRM1CYP1A2CYP2D6
SCHEMBL4781784 0.75 ATM (0.47) NPFFR1NPFFR2OPRM1CTSKPOLB
SCHEMBL13451571 0.75 OPRM1 (0.44) NPFFR1NPFFR2OPRM1CYP1A2CYP2D6
SCHEMBL11568412 0.75 MAPT (0.56) POLBGAAMAPTKDM4EKMT2A
SCHEMBL11563820 0.75 CA12 (0.47) OPRM1KMT2AALDH1A1

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
US-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed
US-3998834-A ANALGESICS JANSSEN PHARMACEUTICA N.V. (BE) 1976-12-21 US disclosed