SCHEMBL11244654

SCHEMBL11244654

Cc1ccc2[nH]c(C)c(CCCCN3CCC(c4ccccc4)CC3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ CHRNA7 P36544 1/20 0.47

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
SCHEMBL11787894 0.93 CHRNA7 (0.52) SIGMAR1KMT2AALDH1A1LMNAMAPT
SCHEMBL11230661 0.89 SIGMAR1 (0.52) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL11228025 0.89 SIGMAR1 (0.59) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL11226070 0.88 HTR1D (0.51) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL11338350 0.83 CHRNA7 (0.50) SIGMAR1KMT2ACHRNA7
SCHEMBL11326948 0.83 CHRNA7 (0.50) SIGMAR1CHRNA7
SCHEMBL11344788 0.82 HTR1A (0.55) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL11784439 0.82 CHRNA7 (0.56) CHRNA7
SCHEMBL11351370 0.81 ESR1 (0.52) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL11359930 0.80 PARP1 (0.53) SIGMAR1MEN1TP53CYP1A2CYP3A4

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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