SCHEMBL10850345

SCHEMBL10850345

COc1ccc2cccc(C(C)(C(OC)C(=O)CC#N)C(F)(F)F)c2c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 16/20 0.41
▸ MTNR1B P49286 8/20 0.41
▸ HTR2C P28335 4/20 0.40
▸ KCNJ11 Q14654 1/20 0.39
▸ TRPV1 Q8NER1 3/20 0.39
▸ NQO2 P16083 1/20 0.39
▸ HTR2B P41595 1/20 0.38

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
SCHEMBL3632205 0.70 MTNR1A (0.47) MTNR1AMTNR1BHTR2CNQO2HTR2B
SCHEMBL3326781 0.69 MTNR1A (0.49) MTNR1AMTNR1BHTR2CNQO2HTR2B
SCHEMBL17187860 0.69 CYP1A2 (0.44) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL28873491 0.68 TRPV1 (0.50) MTNR1AMTNR1BHTR2CTRPV1HTR2B
SCHEMBL4584420 0.67 MTNR1A (0.44) MTNR1AMTNR1BHTR2CNQO2HTR2B
SCHEMBL22967806 0.67 CYP1A2 (0.52) MTNR1AMTNR1BHTR2CNQO2HTR2B
Trifluoromethanesulfonic Acid SCHEMBL28227878 0.66 MTNR1A (0.53) MTNR1AMTNR1BHTR2CTRPV1NQO2
SCHEMBL29032172 0.66 MTNR1A (0.53) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL10850353 0.65 MTNR1A (0.45) MTNR1AMTNR1BHTR2CTRPV1NQO2
SCHEMBL18428158 0.65 MTNR1A (0.48) MTNR1AMTNR1BHTR2CHTR2B

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
US-4568376-A BOTH PRE- AND POST-EMERGENCE PHYTOTOXICITY; PLANT GROWTH REGULATORS CHEVRON RESEARCH COMPANY (US) 1986-02-04 — — US disclosed
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