SCHEMBL9515220

SCHEMBL9515220

O=CC=C[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.49
HTR2A P28223 4/20 0.49
HTR2B P41595 4/20 0.49
KDM1A O60341 2/20 0.40
HTR1A P08908 1/20 0.38
PBRM1 Q86U86 1/20 0.38
TRPM5 Q9NZQ8 1/20 0.38
RCOR1 Q9UKL0 1/20 0.37
DRD2 P14416 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL9515225 1.00 HTR2C (0.49) HTR2CHTR2AHTR2BKDM1AHTR1A
SCHEMBL9580554 0.76 ALDH1A1 (0.41) HTR2CHTR2AHTR2BTRPM5
SCHEMBL9378389 0.75 HTR2C (0.40) HTR2CHTR2AHTR2BKDM1AHTR1A
SCHEMBL9382305 0.75 HTR2C (0.40) HTR2CHTR2AHTR2BKDM1AHTR1A
SCHEMBL9580537 0.75 NPSR1 (0.38) HTR2CHTR2AHTR2BHTR1ATRPM5
SCHEMBL9516957 0.74 TRPV1 (0.39) HTR2CHTR2AHTR2BTRPM5
SCHEMBL9516969 0.74 TRPV1 (0.39) HTR2CHTR2AHTR2BTRPM5
SCHEMBL9516964 0.74 TRPV1 (0.39) HTR2CHTR2AHTR2BTRPM5
SCHEMBL9580461 0.74 TRPV1 (0.39) HTR2CHTR2AHTR2BTRPM5
SCHEMBL9580527 0.74 HTR2A (0.43) HTR2CHTR2AHTR2BTRPM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed