SCHEMBL29538895

SCHEMBL29538895

Cn1c(Br)nc2cc(C(F)(F)F)ncc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ QRFPR Q96P65 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ NT5E P21589 1/20 0.30
▸ ADRB2 P07550 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CHKA P35790 1/20 0.30

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
SCHEMBL19974425 1.00 QRFPR (0.33) QRFPRTRPV4HTTNT5EADRB2
SCHEMBL18136192 0.82 KDM4E (0.45) HTT
SCHEMBL21065788 0.81 ALOX15 (0.32) QRFPRTRPV4HTTCA2CHKA
SCHEMBL19974053 0.81 QRFPR (0.33) QRFPRTRPV4CA2CHKA
SCHEMBL21230341 0.81 CA2 (0.37) QRFPRTRPV4CA2CHKA
SCHEMBL25888568 0.79 CNR2 (0.35) QRFPRTRPV4
SCHEMBL21698353 0.78 MCHR1 (0.34) QRFPR
SCHEMBL20100075 0.78 S1PR1 (0.36) QRFPR
SCHEMBL22436278 0.77 — —
SCHEMBL20379039 0.77 — —

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
EP-3512847-B1 PROCESS FOR THE PREPARATION OF HALOGENATED BICYCLES BAYER CROPSCIENCE AG (DE) 2022-03-30 — — EP disclosed
Send feedback