SCHEMBL18835240

SCHEMBL18835240

CN1c2nc(-c3cccc(OC(F)(F)F)c3)n(Cc3ccc(Cl)cn3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 14/20 0.47
▸ TRPC1 P48995 1/20 0.40
▸ TRPC4 Q9UBN4 1/20 0.40
▸ PIM1 P11309 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ CTSA P10619 1/20 0.36
▸ CHRM5 P08912 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34

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
SCHEMBL19505043 0.89 TRPC5 (0.37) TRPC5TRPC4P2RX3
SCHEMBL21499708 0.87 COMT (0.33) TRPC5P2RX3
SCHEMBL18834622 0.85 P2RX3 (0.35) TRPC5P2RX3
SCHEMBL20432382 0.84 TRPC5 (0.40) TRPC5TRPC1TRPC4P2RX3
SCHEMBL21499676 0.81 TRPC5 (0.48) TRPC5TRPC1TRPC4P2RX3
SCHEMBL19505365 0.80 TRPC5 (0.42) TRPC5TRPC1TRPC4P2RX3
SCHEMBL18834470 0.80 TRPC5 (0.35) TRPC5P2RX3
SCHEMBL18834542 0.79 P2RX3 (0.31) P2RX3
SCHEMBL21499640 0.78 MDM2 (0.38) TRPC5P2RX3
SCHEMBL19505349 0.78 TRPC5 (0.48) TRPC5TRPC1TRPC4P2RX3

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 2 patents. 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
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP disclosed
Send feedback