SCHEMBL9581369

SCHEMBL9581369

NC(=O)c1ccc2c(CCCCN3CCC(c4ccccc4)CC3)c[nH]c2c1

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.57
▸ ADRA2A P08913 2/20 0.51
▸ ADRA2B P18089 2/20 0.51
▸ ADRA2C P18825 2/20 0.51
▸ ADRA1D P25100 2/20 0.51
▸ ADRA1A P35348 2/20 0.51
▸ ADRA1B P35368 2/20 0.51

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
SCHEMBL11017624 0.96 HTR7 (0.63) HTR7ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9582316 0.92 HTR7 (0.67) HTR7ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9582259 0.92 KMT2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9581620 0.91 HTR7 (0.51) HTR7ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9582681 0.91 HTR7 (0.53) HTR7ADRA2AADRA2BADRA2CADRA1D
SCHEMBL11357559 0.85 DRD2 (0.54) —
SCHEMBL9582467 0.85 DRD2 (0.47) HTR7ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9582106 0.85 KDM4E (0.48) —
SCHEMBL9581356 0.84 KDM4E (0.64) HTR7
SCHEMBL9582089 0.84 KDM4E (0.48) HTR7

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
US-5256673-A Indole-3-yl-A-tetrahydropyridyl or piperidyl compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-10-26 — — US disclosed
EP-0144012-B1 INDOLE DERIVATIVES MERCK PATENT GmbH (DE) 1988-03-16 — — EP disclosed
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