SCHEMBL11567112

SCHEMBL11567112

Cc1ccc(NC2(C(=O)O)CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.55
ALDH1A1 P00352 4/20 0.54
CYP2D6 P10635 2/20 0.54
LMNA P02545 3/20 0.54
POLB P06746 2/20 0.54
NPFFR1 Q9GZQ6 2/20 0.54
NPFFR2 Q9Y5X5 2/20 0.54
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL2985624 0.91 NPFFR1 (0.62) FAAHALDH1A1CYP2D6POLBNPFFR1
SCHEMBL3939085 0.90 CYP2D6 (0.65) FAAHALDH1A1CYP2D6LMNAPOLB
SCHEMBL6045494 0.89 NPFFR1 (0.61) FAAHALDH1A1CYP2D6POLBNPFFR1
Hydrochloric Acid SCHEMBL11455282 0.89 NPFFR1 (0.61) FAAHALDH1A1CYP2D6POLBNPFFR1
Hydrochloric Acid SCHEMBL5240984 0.89 NPFFR1 (0.61) FAAHALDH1A1CYP2D6POLBNPFFR1
SCHEMBL11566758 0.88 CA12 (0.55) FAAHNPFFR1NPFFR2OPRM1OPRD1
SCHEMBL11566176 0.87 FAAH (0.55) FAAHALDH1A1CYP2D6NPFFR1NPFFR2
SCHEMBL11565880 0.87 OPRM1 (0.57) ALDH1A1CYP2D6LMNAPOLBNPFFR1
SCHEMBL7830278 0.86 ALDH1A1 (0.63) FAAHALDH1A1CYP2D6LMNANPFFR1
SCHEMBL11568366 0.86 CYP2D6 (0.58) FAAHALDH1A1CYP2D6POLBNPFFR1

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