SCHEMBL7947587

SCHEMBL7947587

NC(=O)c1ccc(N(S)C(=O)NCCc2ccccc2I)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.36
P2RX7 Q99572 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HIF1A Q16665 1/20 0.34
MAPK8 P45983 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
PARP10 Q53GL7 3/20 0.33
HSP90AA1 P07900 2/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G2A P14555 1/20 0.33
MTNR1B P49286 1/20 0.33
CYP2C19 P33261 2/20 0.33
MAOB P27338 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP14 Q460N5 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL7575627 0.86 MPO (0.39) MTNR1AP2RX7TAAR1HIF1AOPRM1
SCHEMBL7947443 0.85 PARP10 (0.46) MTNR1AP2RX7TAAR1HIF1AMAPK8
SCHEMBL6819593 0.85 PARP10 (0.49) TAAR1HIF1AOPRM1OPRD1OPRK1
SCHEMBL7567741 0.85 HIF1A (0.51) P2RX7TAAR1HIF1APOLBMAPT
SCHEMBL7565696 0.82 MTNR1A (0.54) MTNR1ATAAR1MTNR1BPOLBMAPT
SCHEMBL6815624 0.82 OPRM1 (0.51) OPRM1OPRD1OPRK1HSP90AA1PLA2G10
SCHEMBL7641136 0.79 OPRM1 (0.38) HIF1AMAPK8OPRM1OPRD1OPRK1
SCHEMBL6816015 0.78 NPC1 (0.50) OPRM1OPRD1OPRK1PLA2G10PLA2G2A
SCHEMBL7567729 0.78 MAOB (0.41) P2RX7MAOBMAPTTRPV1
SCHEMBL7950464 0.78 TRPV1 (0.39) MTNR1AP2RX7PARP10MTNR1BMAOB

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-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed