SCHEMBL18808952

SCHEMBL18808952

O=c1n(Cc2nnc(Cc3cccc(OC(F)(F)F)c3)[nH]2)nc(-c2ccc(Cl)cc2)n1CCC(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.58
AVPR1A P37288 11/20 0.58
P2RX3 P56373 1/20 0.40
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
TRPC5 Q9UL62 3/20 0.40
CYP2C9 P11712 1/20 0.40
EGFR P00533 1/20 0.40
CHRM4 P08173 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRA2A P08913 1/20 0.40
ALOX5 P09917 1/20 0.40
ADRB3 P13945 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
CHRM3 P20309 1/20 0.40
TACR2 P21452 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL15124816 0.86 AVPR2 (0.59) AVPR2AVPR1ASLC6A2OPRK1
SCHEMBL6927568 0.83 AVPR2 (0.77) AVPR2AVPR1A
SCHEMBL6930246 0.81 AVPR2 (0.66) AVPR2AVPR1A
SCHEMBL18808598 0.80 AVPR2 (0.60) AVPR2AVPR1A
SCHEMBL18808719 0.79 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL18808822 0.76 AVPR2 (0.56) AVPR2AVPR1ASLC6A2OPRK1
SCHEMBL6929509 0.76 AVPR2 (0.63) AVPR2AVPR1A
SCHEMBL19577975 0.74 AVPR2 (0.57) AVPR2AVPR1ASLC6A2OPRK1
SCHEMBL6929422 0.73 AVPR2 (0.63) AVPR2AVPR1ASLC6A2OPRK1
SCHEMBL18808855 0.73 AVPR2 (0.63) AVPR2AVPR1ASLC6A2OPRK1

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-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 EP disclosed