SCHEMBL11260031

SCHEMBL11260031

CCc1[nH]c2ccccc2c1CCCCN1CCC(c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ BCHE P06276 1/20 0.53
▸ DRD2 P14416 1/20 0.50
▸ CCR3 P51677 1/20 0.50
▸ PARP1 P09874 1/20 0.48
▸ PARP2 Q9UGN5 1/20 0.48
▸ CHRNA7 P36544 2/20 0.48

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
SCHEMBL11251485 0.91 SIGMAR1 (0.53) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL11228025 0.87 SIGMAR1 (0.59) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL11238798 0.84 HTR2A (0.60) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL11348685 0.81 ESR1 (0.58) BCHEPARP1PARP2
SCHEMBL11784439 0.80 CHRNA7 (0.56) DRD2CHRNA7
SCHEMBL11359930 0.79 PARP1 (0.53) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL11244654 0.77 SIGMAR1 (0.54) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL7291534 0.76 DRD2 (0.53) BCHEDRD2
SCHEMBL11230661 0.75 SIGMAR1 (0.52) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL5419313 0.75 DRD2 (0.57) MEN1KMT2ADRD2CHRNA7

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
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
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