SCHEMBL9799352

SCHEMBL9799352

Nc1cccc(CCCc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.64
▸ TSHR P16473 2/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ HTR1A P08908 1/20 0.57
▸ IDO1 P14902 2/20 0.53
▸ MAOB P27338 4/20 0.53
▸ MAOA P21397 2/20 0.52
▸ HTR2B P41595 2/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ CYP19A1 P11511 1/20 0.50
▸ MIF P14174 1/20 0.50
▸ MRGPRX4 Q96LA9 1/20 0.50
▸ ACP3 P15309 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 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
SCHEMBL11383498 0.84 TAAR1 (0.65) TAAR1TSHRHTR1AIDO1HTR2B
SCHEMBL29437072 0.83 MAOB (0.71) MAOBMAOAHTR2ACYP19A1CYP3A4
SCHEMBL1026806 0.83 MAOB (0.71) MAOBMAOAHTR2ACYP19A1CYP3A4
SCHEMBL365289 0.82 TAAR1 (0.79) TAAR1TSHRMAPK1IDO1MAOB
Hydrochloric Acid SCHEMBL12520854 0.81 TAAR1 (0.77) TAAR1TSHRHTR1AIDO1MAOB
SCHEMBL1419866 0.81 TAAR1 (0.77) TAAR1TSHRIDO1MAOBMAOA
SCHEMBL6235879 0.79 TAAR1 (0.74) TAAR1TSHRIDO1MAOBMAOA
SCHEMBL2095840 0.79 TAAR1 (0.74) TAAR1TSHRIDO1MAOBMAOA
SCHEMBL29410732 0.79 TSHR (1.00) TAAR1TSHRMAPK1HTR1AIDO1
SCHEMBL29436975 0.79 MAOB (0.71) MAOBMAOACYP19A1CYP3A4

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 6 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
EP-0041145-B1 ARALKYL-PHENYL UREAS AND THEIR HERBICIDAL COMPOSITIONS BASF Aktiengesellschaft (DE) 1984-12-19 — — EP 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
EP-0041145-A2 Aralkyl-phenyl ureas and their herbicidal compositions BASF Aktiengesellschaft (DE) 1981-12-09 — — EP disclosed
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