SCHEMBL7960273

SCHEMBL7960273

O=CCCn1nc(Cc2cccc3ccccc23)c2ccccc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 6/20 0.66
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ ADRA1A P35348 2/20 0.42
▸ HRH1 P35367 2/20 0.42
▸ ADRA1B P35368 2/20 0.42
▸ IL15 P40933 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL6115916 0.82 CMA1 (0.81) CMA1TSHRSMN1; SMN2MAPTLMNA
SCHEMBL18900851 0.82 CMA1 (0.72) CMA1TSHRSMN1; SMN2MAPTLMNA
SCHEMBL6115028 0.80 CMA1 (1.00) CMA1TSHRMAPTLMNAHPGD
SCHEMBL7965389 0.79 CMA1 (0.45) CMA1SMN1; SMN2ADRA1AHRH1ADRA1B
SCHEMBL7960664 0.75 HRH1 (0.66) TSHRADRA1AHRH1ADRA1BHRH3
SCHEMBL7963507 0.73 CMA1 (0.73) CMA1TSHRSMN1; SMN2LMNAHPGD
SCHEMBL18900937 0.69 CMA1 (0.73) CMA1SMN1; SMN2
SCHEMBL6115031 0.69 CMA1 (0.61) CMA1TSHRSMN1; SMN2LMNAHPGD
SCHEMBL7960570 0.68 CMA1 (1.00) CMA1TSHRSMN1; SMN2
SCHEMBL143458 0.66 MTNR1A (0.49) MAPTHPGD

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
WO-2010019417-A2 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 — — WO disclosed
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