SCHEMBL9799747

SCHEMBL9799747

COc1ccc(CCCc2cccc(N)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.58
▸ MAOB P27338 3/20 0.55
▸ MAOA P21397 2/20 0.55
▸ CALM1 P0DP23 1/20 0.54
▸ IGF1R P08069 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ TAAR1 Q96RJ0 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SIGMAR1 Q99720 2/20 0.47
▸ CHRM2 P08172 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46

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
SCHEMBL7004918 0.93 CYP19A1 (0.67) CYP19A1MAOBMAOACALM1IGF1R
SCHEMBL11126109 0.88 TAAR1 (0.64) MAOBMAOAALDH1A1CYP3A4TAAR1
SCHEMBL9799017 0.84 TP53 (0.57) CYP19A1MAOBMAOACYP3A4TDP1
SCHEMBL11128802 0.83 TAAR1 (0.67) CYP19A1MAOBALDH1A1CYP3A4TAAR1
SCHEMBL29067123 0.83 LTA4H (0.63) CYP19A1MAOBMAOAALDH1A1CYP3A4
SCHEMBL841378 0.82 CYP19A1 (0.84) CYP19A1MAOBMAOACYP3A4SIGMAR1
SCHEMBL11128115 0.82 CYP19A1 (0.63) CYP19A1CYP3A4SIGMAR1
SCHEMBL1026806 0.82 MAOB (0.71) CYP19A1MAOBMAOAALDH1A1CYP3A4
SCHEMBL29437072 0.82 MAOB (0.71) CYP19A1MAOBMAOAALDH1A1CYP3A4
SCHEMBL9799795 0.81 CYP19A1 (0.63) CYP19A1MAOBMAOATAAR1SIGMAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5015762-A Alkoxy substituted ureas as herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-05-14 — — US disclosed
US-4422871-A Aralkylphenylureas and herbicides containing these BASF AKTIENGESELLSCHAFT (DE) 1983-12-27 — — US disclosed
US-4405358-A Aralkylaniline derivatives, and herbicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1983-09-20 — — US disclosed
EP-0041613-A1 Derivatives of aralkylaniline and herbicides containing these compounds BASF Aktiengesellschaft (DE) 1981-12-16 — — EP disclosed
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