SCHEMBL14193178

SCHEMBL14193178

Nc1ccc(CCc2ccc(-c3ccccc3)cc2)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.52
▸ MAOA P21397 5/20 0.52
▸ TAAR1 Q96RJ0 3/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CYP19A1 P11511 2/20 0.46
▸ GFER P55789 1/20 0.43
▸ KCNH2 Q12809 1/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ DAO P14920 1/20 0.40

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
Hydrochloric Acid SCHEMBL4804489 0.98 MAOB (0.53) MAOBMAOATAAR1CYP3A4HSD17B10
SCHEMBL4810383 0.89 MAOB (0.59) MAOBMAOATAAR1CYP3A4HSD17B10
Hydrochloric Acid SCHEMBL3251098 0.87 MAOB (0.61) MAOBMAOATAAR1CYP3A4HSD17B10
SCHEMBL9826756 0.81 MAOB (0.77) MAOBMAOATAAR1CYP3A4HSD17B10
SCHEMBL10890416 0.79 CASP1 (0.46) MAOBMAOACYP3A4HSD17B10TDP1
SCHEMBL3245628 0.79 CYP1A2 (0.50) MAOBMAOATAAR1CYP19A1GFER
SCHEMBL4810025 0.79 ESR1 (0.52) MAOBMAOATAAR1CYP3A4HSD17B10
Hydrochloric Acid SCHEMBL3244731 0.77 BLM (0.52) MAOBMAOATAAR1CYP3A4HSD17B10
SCHEMBL7138183 0.77 MAOB (0.86) MAOBMAOATAAR1CYP3A4HSD17B10
SCHEMBL16356150 0.76 CYP1A2 (0.43) MAOBTAAR1HSD17B10TDP1CYP19A1

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-7361198-B2 M-diaminobenzenes, their acid adducts and the use thereof in colorants WELLA AG (DE) 2008-04-22 — — US disclosed
US-7361198-B2 M-diaminobenzenes, their acid adducts and the use thereof in colorants WELLA AG (DE) 2008-04-22 — — US disclosed
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