SCHEMBL7963569

SCHEMBL7963569

Cc1ccc(C)c(Cc2nn(CCCO)c(=O)c3ccccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 4/20 0.48
▸ ADRA1A P35348 4/20 0.45
▸ HRH1 P35367 4/20 0.45
▸ ADRA1B P35368 4/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.45
▸ IL15 P40933 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL6115844 0.86 CMA1 (0.63) CMA1SMN1; SMN2POLBALDH1A1HTT
SCHEMBL7965389 0.84 CMA1 (0.45) CMA1ADRA1AHRH1ADRA1BHRH3
SCHEMBL7960611 0.73 HRH1 (0.66) ADRA1AHRH1ADRA1BHRH3ALDH1A1
SCHEMBL23966567 0.73 MAPT (0.68) POLBTSHR
SCHEMBL23966572 0.71 RECQL (0.57) SMN1; SMN2POLBALDH1A1HTTTSHR
SCHEMBL16363659 0.68 TSHR (0.64) ADRA1AHRH1ADRA1BHRH3POLB
SCHEMBL7967791 0.68 CMA1 (0.56) CMA1HPGDSMN1; SMN2POLBALDH1A1
SCHEMBL6115259 0.65 CMA1 (1.00) CMA1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7959067 0.64 CMA1 (0.85) CMA1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL6115916 0.64 CMA1 (0.81) CMA1HPGDSMN1; SMN2TSHR

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-2323991-B1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-31 — — EP disclosed
WO-2010019417-A2 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 — — WO disclosed
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