SCHEMBL19375611

SCHEMBL19375611

CCN1c2nc(Oc3ccccc3OC)n(Cc3ccc(Cl)cc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.41
▸ TRPC5 Q9UL62 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PDE5A O76074 7/20 0.38
▸ TRPC1 P48995 1/20 0.38
▸ P2RX3 P56373 6/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35

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
SCHEMBL19375680 0.91 TRPC4 (0.46) TRPC4TRPC5KCNH2PDE5ATRPC1
SCHEMBL20432442 0.86 TRPC5 (0.48) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL19505394 0.86 TRPC5 (0.48) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL21499684 0.86 P2RX3 (0.44) TRPC4TRPC5KCNH2PDE5AP2RX3
SCHEMBL19505516 0.85 TRPC5 (0.47) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL18834945 0.85 TRPC4 (0.39) TRPC4TRPC5KCNH2LMNAHTT
SCHEMBL18834254 0.84 TRPC4 (0.40) TRPC4TRPC5KCNH2LMNAHTT
SCHEMBL19375592 0.84 TRPC5 (0.48) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL19505396 0.84 TRPC4 (0.41) TRPC4TRPC5KCNH2PDE5ATRPC1
SCHEMBL21316302 0.84 TRPC4 (0.41) 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 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