SCHEMBL9739760

SCHEMBL9739760

O=C1c2ccccc2C2(c3nccs3)CCCN12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.38
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 1/20 0.32

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
SCHEMBL9738592 0.78 HSD11B1 (0.41) OPRL1NPC1POLBMEN1KMT2A
SCHEMBL9738745 0.78 MEN1 (0.38) OPRL1NPC1POLBMEN1KMT2A
SCHEMBL9738986 0.76 RXFP1 (0.42) NPC1POLBMEN1KMT2AHTT
SCHEMBL9216719 0.75 NPC1 (0.35) OPRL1NPC1POLBMEN1KMT2A
SCHEMBL9738811 0.75 NPC1 (0.35) NPC1POLBMEN1KMT2AHTT
SCHEMBL9738530 0.75 NPC1 (0.35) NPC1POLBMEN1KMT2AHTT
SCHEMBL9200379 0.75 NPC1 (0.35) OPRL1NPC1POLBMEN1KMT2A
SCHEMBL9740491 0.74 MEN1 (0.40) NPC1POLBMEN1KMT2AHTT
SCHEMBL9740266 0.74 SLC22A12 (0.38) NPC1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL9196392 0.74 NPC1 (0.61) OPRL1NPC1POLBMEN1KMT2A

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
WO-1992016529-A1 NOVEL ISOINDOLE DERIVATIVES AND MEDICAMENTS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1992-10-01 WO disclosed