SCHEMBL18834254

SCHEMBL18834254

CN1c2nc(Oc3ccccc3Cl)n(Cc3ccc(Cl)cc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.40
▸ TRPC5 Q9UL62 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ TRPC1 P48995 1/20 0.37
▸ P2RX3 P56373 14/20 0.36
▸ HTT P42858 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PDE5A O76074 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL18833918 0.94 P2RX3 (0.35) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL18834945 0.91 TRPC4 (0.39) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL19505503 0.91 TRPC4 (0.39) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL18834366 0.90 TRPC5 (0.38) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL19505572 0.89 TRPC4 (0.47) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL18834916 0.88 TRPC4 (0.45) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL21499648 0.86 TRPC4 (0.40) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL20432022 0.86 TRPC4 (0.42) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL18834435 0.86 MAPT (0.39) TRPC4TRPC5KCNH2ALDH1A1PDE5A
SCHEMBL22619613 0.85 TRPC5 (0.57) TRPC4TRPC5KCNH2TRPC1P2RX3

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
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