SCHEMBL7585551

SCHEMBL7585551

O=C(NCCc1cccc(F)c1)N(S)c1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
TAAR1 Q96RJ0 3/20 0.43
TP53 P04637 1/20 0.42
OPRM1 P35372 6/20 0.42
OPRD1 P41143 5/20 0.42
OPRK1 P41145 1/20 0.42
NLRP3 Q96P20 1/20 0.41
LMNA P02545 3/20 0.39
OPRL1 P41146 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7589548 0.85 HDAC3 (0.36) CNR1TAAR1ALDH1A1
SCHEMBL7673079 0.85 ALDH1A1 (0.51) CNR1TAAR1TP53LMNAPOLB
SCHEMBL7872178 0.85 CNR1 (0.46) CNR1TAAR1NLRP3
SCHEMBL7594776 0.85 HPGD (0.46) CNR1TAAR1LMNAPOLBALDH1A1
SCHEMBL6815566 0.83 MAOB (0.48) CNR1TAAR1TP53OPRM1OPRD1
SCHEMBL7588694 0.82 RAB9A (0.51) CNR1OPRM1OPRD1OPRK1POLB
SCHEMBL7692648 0.82 CNR1 (0.44) CNR1TAAR1TP53OPRM1OPRD1
SCHEMBL7866863 0.80 MTNR1A (0.41) POLBMAPT
SCHEMBL6814958 0.77 RAB9A (0.50) CNR1TP53LMNANAMPTALDH1A1
SCHEMBL7599731 0.77 CNR1 (0.42) CNR1TAAR1NLRP3POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144399-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed