SCHEMBL19375596

SCHEMBL19375596

CC(O)CCN1C(=O)c2c(nc(Oc3cccc(OC(F)(F)F)c3)n2Cc2ccc(Cl)cc2)N(C)C1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 6/20 0.50
▸ TRPC4 Q9UBN4 2/20 0.50
▸ TRPC1 P48995 1/20 0.50
▸ P2RX3 P56373 5/20 0.41
▸ KCNH2 Q12809 2/20 0.38
▸ PPARG P37231 6/20 0.38
▸ PPARA Q07869 5/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ TACR2 P21452 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ TBXA2R P21731 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
SCHEMBL21316294 0.94 TRPC5 (0.50) TRPC5TRPC4TRPC1P2RX3KCNH2
SCHEMBL21316291 0.92 TRPC5 (0.54) TRPC5TRPC4TRPC1P2RX3KCNH2
SCHEMBL19505055 0.91 TRPC5 (0.56) TRPC5TRPC4TRPC1P2RX3KCNH2
SCHEMBL21499665 0.91 TRPC5 (0.51) TRPC5TRPC4TRPC1P2RX3KCNH2
SCHEMBL19375184 0.90 TRPC5 (0.49) TRPC5TRPC4TRPC1P2RX3KCNH2
SCHEMBL19505070 0.90 TRPC5 (0.52) TRPC5TRPC4TRPC1P2RX3KCNH2
SCHEMBL24133837 0.89 TRPC5 (0.57) TRPC5TRPC4TRPC1P2RX3KCNH2
SCHEMBL21499688 0.89 TRPC5 (0.50) TRPC5TRPC4TRPC1P2RX3KCNH2
SCHEMBL19505315 0.89 TRPC5 (0.52) TRPC5TRPC4TRPC1P2RX3KCNH2
SCHEMBL21316349 0.89 TRPC5 (0.50) TRPC5TRPC4TRPC1P2RX3KCNH2

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-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 — — EP disclosed
Send feedback