SCHEMBL20831648

SCHEMBL20831648

Cc1cc(F)ccc1CN1CCN(c2cn[nH]c(=O)c2Cl)C(C)C1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 12/20 0.59
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ TIPARP Q7Z3E1 1/20 0.37
▸ TRPC4 Q9UBN4 1/20 0.37

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
SCHEMBL20831651 1.00 TRPC5 (0.59) TRPC5ALDH1A1POLBGAAROCK2
SCHEMBL20818361 0.89 TRPC5 (0.56) TRPC5ALDH1A1POLBGAAROCK2
SCHEMBL20831925 0.89 TRPC5 (0.56) TRPC5ALDH1A1POLBGAAROCK2
SCHEMBL20831643 0.88 TRPC5 (0.55) TRPC5ALDH1A1POLBGAAROCK2
SCHEMBL20831565 0.88 TRPC5 (0.55) TRPC5ALDH1A1ROCK2TRPC4
SCHEMBL20831931 0.88 TRPC5 (0.55) TRPC5ALDH1A1POLBGAAROCK2
SCHEMBL20831563 0.86 TRPC5 (0.54) TRPC5ALDH1A1ROCK2TRPC4
SCHEMBL20831482 0.86 TRPC5 (0.54) TRPC5ALDH1A1POLBTIPARPTRPC4
SCHEMBL20831483 0.86 TRPC5 (0.54) TRPC5ALDH1A1POLBTIPARPTRPC4
SCHEMBL20831647 0.86 TRPC5 (0.78) TRPC5ALDH1A1TIPARPTRPC4

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
WO-2019055966-A2 PYRIDAZINONES AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-03-21 — — WO disclosed
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