SCHEMBL8837490

SCHEMBL8837490

[CH2][C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 10/20 0.56
▸ EPHX2 P34913 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ EPHX1 P07099 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CDK9 P50750 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CLK4 Q9HAZ1 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.51
▸ ROCK2 O75116 2/20 0.50
▸ ROCK1 Q13464 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL9586701 0.85 PKM (0.57) FPR2EPHX2TSHRSMN1; SMN2ROCK2
SCHEMBL4068332 0.83 HSD17B10 (0.56) FPR2EPHX2TP53EPHX1TSHR
SCHEMBL11580858 0.81 NPC1 (0.77) FPR2EPHX2SMN1; SMN2HSD17B10MEN1
SCHEMBL6381444 0.81 FPR2 (0.81) FPR2MEN1KMT2A
SCHEMBL6375751 0.81 FPR2 (0.81) FPR2MEN1KMT2A
SCHEMBL6375756 0.81 FPR2 (0.81) FPR2MEN1KMT2A
SCHEMBL8837452 0.81 NPC1 (0.56) NPC1RAB9A
SCHEMBL8957524 0.79 ROCK2 (0.56) FPR2HSD17B10ROCK2ROCK1NPC1
SCHEMBL20611567 0.79 FPR2 (0.63) FPR2
SCHEMBL29686493 0.79 FPR2 (0.63) FPR2

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-5674864-A ANALGESICS; ENDOPEPTIDASE AND ENKEPHALINASE INHIBITORS; CARDIOTONIC, PSYCHOTROPIC AND HYPERTENSIVE AGENTS ROUSSEL UCLAF (FR) 1997-10-07 — — US disclosed
US-5190974-A Analgesics ROUSSEL UCLAF (FR) 1993-03-02 — — US disclosed
Send feedback