SCHEMBL11242790

SCHEMBL11242790

Cc1c(C(=O)CCC(=O)N2CCC(c3ccccc3)CC2)c2ccccc2n1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ HTR7 P34969 4/20 0.47
▸ ESR1 P03372 1/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ ADAMTS5 Q9UNA0 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MCHR1 Q99705 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL11252898 0.83 HTR7 (0.55) HTR7ESR1PARP1MAPK1ALDH1A1
SCHEMBL11223500 0.79 TPSAB1 (0.57) KMT2AHTR7ESR1PARP1SIGMAR1
SCHEMBL11239836 0.78 ESR1 (0.56) KMT2AESR1PARP1ALDH1A1HPGD
SCHEMBL11311675 0.76 TP53 (0.53) KMT2AMEN1ALDH1A1TP53SMN1; SMN2
SCHEMBL4198757 0.76 NAMPT (0.65) HTR7ESR1PARP1SIGMAR1MAPK1
SCHEMBL11498279 0.75 TPSAB1 (0.55) KMT2APARP1MAPK1ALDH1A1NAMPT
SCHEMBL11239643 0.75 ESR1 (0.57) ESR1PARP1ADAMTS5
SCHEMBL11351356 0.74 ESR1 (0.54) ESR1PARP1ALDH1A1ADAMTS5NAMPT
SCHEMBL6245254 0.74 NAMPT (0.64) HTR7ESR1PARP1SIGMAR1MAPK1
SCHEMBL11240652 0.74 TPSAB1 (0.57) —

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
EP-0007399-B1 INDOLYLALKYL AMINES, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND PROCESS FOR THEIR MANUFACTURE MERCK PATENT GmbH (DE) 1982-01-20 — — EP disclosed
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