SCHEMBL17656796

SCHEMBL17656796

C[C@@H]1CCCCC1NC(=O)c1cc(Cc2ccc(-c3cnn(C)c3)nc2)c2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 16/20 0.63

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
SCHEMBL2224562 1.00 CHRM1 (0.63) CHRM1
SCHEMBL12802929 0.92 CHRM1 (0.74) CHRM1
SCHEMBL6888427 0.92 CHRM1 (0.74) CHRM1
SCHEMBL2222379 0.91 CHRM1 (0.64) CHRM1
SCHEMBL2277330 0.91 CHRM1 (0.64) CHRM1
SCHEMBL2365543 0.91 CHRM1 (0.61) CHRM1
SCHEMBL2364578 0.91 CHRM1 (0.61) CHRM1
SCHEMBL6891034 0.90 CHRM1 (0.65) CHRM1
SCHEMBL2362381 0.89 CHRM1 (0.62) CHRM1
SCHEMBL2221055 0.86 CHRM1 (0.55) CHRM1

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-2512243-B1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-04-06 EP disclosed