SCHEMBL11240783

SCHEMBL11240783

COc1ccc2c(C(=O)CCC(=O)N3CCC(c4ccccc4)CC3)c[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 5/20 0.55
▸ RECQL P46063 1/20 0.55
▸ AVPR1A P37288 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.50
▸ LMNA P02545 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HSD11B1 P28845 2/20 0.46
▸ APP P05067 1/20 0.46

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
SCHEMBL11251330 0.93 SMN1; SMN2 (0.56) MEN1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL11251657 0.88 AVPR1A (0.50) KMT2AKDM4ESMN1; SMN2MAPTAVPR1A
SCHEMBL11223398 0.85 ADAM17 (0.57) KMT2AKDM4EMAPTAVPR1AALDH1A1
SCHEMBL11354265 0.84 ALDH1A1 (0.53) MEN1KMT2AMAPTAVPR1AALDH1A1
SCHEMBL11256286 0.83 ALDH1A1 (0.44) KDM4EAVPR1AALDH1A1L3MBTL1LMNA
SCHEMBL11229177 0.82 TPSAB1 (0.56) AVPR1AALDH1A1HSD17B10LMNARAB9A
SCHEMBL11230105 0.80 AVPR1A (0.48) SMN1; SMN2MAPTAVPR1ANPC1RAB9A
SCHEMBL11247565 0.80 ALDH1A1 (0.51) SMN1; SMN2MAPTAVPR1AALDH1A1NPC1
SCHEMBL11251234 0.80 AVPR1A (0.49) SMN1; SMN2GAAMAPTAVPR1AALDH1A1
SCHEMBL11223947 0.80 AVPR1A (0.62) AVPR1A

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-0007399-B1 INDOLYLALKYL AMINES, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND PROCESS FOR THEIR MANUFACTURE MERCK PATENT GmbH (DE) 1982-01-20 — — EP disclosed
US-4251538-A Indolealkylamines and processes for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-02-17 — — US disclosed
EP-0007399-A1 Indolylalkyl amines, pharmaceutical preparations containing them and process for their manufacture MERCK PATENT GmbH (DE) 1980-02-06 — — EP disclosed
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