SCHEMBL19375181

SCHEMBL19375181

CCc1cccc(Oc2nc3c(n2Cc2ccc(F)cc2)C(=O)N(CCCO)C(O)N3C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 3/20 0.41
▸ TRPC4 Q9UBN4 2/20 0.41
▸ TRPC1 P48995 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.35
▸ P2RX3 P56373 5/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ USP2 O75604 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ PCSK9 Q8NBP7 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPBWR1 P48145 1/20 0.33

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
SCHEMBL18835341 0.93 TRPC4 (0.41) TRPC5TRPC4TRPC1KCNH2ADORA3
SCHEMBL19374906 0.93 TRPC5 (0.49) TRPC5TRPC4TRPC1KCNH2ADORA3
SCHEMBL21499680 0.90 P2RX3 (0.39) TRPC5TRPC4TRPC1KCNH2ADORA3
SCHEMBL19375398 0.88 P2RX3 (0.38) TRPC5TRPC4TRPC1KCNH2ADORA3
SCHEMBL19375436 0.86 P2RX7 (0.35) TRPC5TRPC4TRPC1KCNH2ADORA3
SCHEMBL20432022 0.86 TRPC4 (0.42) TRPC5TRPC4TRPC1KCNH2P2RX3
SCHEMBL20432442 0.85 TRPC5 (0.48) TRPC5TRPC4TRPC1KCNH2ADORA3
SCHEMBL20432432 0.85 PDE5A (0.37) TRPC5ADORA3P2RX3TSHRALDH1A1
SCHEMBL22619613 0.85 TRPC5 (0.57) TRPC5TRPC4TRPC1KCNH2P2RX3
SCHEMBL19505500 0.84 TRPC5 (0.50) TRPC5TRPC4TRPC1KCNH2ADORA3

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
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