SCHEMBL7848997

SCHEMBL7848997

Cc1cccc(NC2(CNC(N)=O)CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 16/20 0.61
NPFFR2 Q9Y5X5 16/20 0.61
OPRK1 P41145 4/20 0.61
OPRM1 P35372 3/20 0.55
OPRD1 P41143 1/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
DCUN1D1 Q96GG9 1/20 0.51
FAAH O00519 1/20 0.49
CHRM2 P08172 1/20 0.47
CHRM3 P20309 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
SCHEMBL7831492 0.83 NPFFR1 (0.54) NPFFR1NPFFR2OPRK1KDM4EALDH1A1
SCHEMBL7834387 0.83 ALDH1A1 (0.55) NPFFR1NPFFR2OPRK1KDM4EALDH1A1
SCHEMBL7853470 0.83 NPFFR1 (0.49) NPFFR1NPFFR2OPRK1OPRM1OPRD1
SCHEMBL7707050 0.83 ALDH1A1 (0.61) NPFFR1NPFFR2OPRK1OPRM1OPRD1
SCHEMBL7853472 0.81 KDM4E (0.50) NPFFR1NPFFR2OPRK1OPRM1KDM4E
SCHEMBL7830278 0.80 ALDH1A1 (0.63) NPFFR1NPFFR2OPRK1OPRM1OPRD1
SCHEMBL11447661 0.79 KDM4E (0.50) NPFFR1NPFFR2OPRK1OPRM1KDM4E
SCHEMBL7831915 0.76 ALDH1A1 (0.54) OPRM1OPRD1KDM4EALDH1A1MAPT
SCHEMBL18719636 0.75 KDM4E (0.56) KDM4EALDH1A1MAPTRAB9ADCUN1D1
SCHEMBL7705959 0.73 SMN1; SMN2 (0.59) NPFFR1NPFFR2OPRM1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed