SCHEMBL17656777

SCHEMBL17656777

Cn1ccnc1-c1ccc(Cc2cc(C(=O)NC3CCCCC3)nc3ccccc23)cn1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL12802988 0.90 CHRM1 (0.64) CHRM1
SCHEMBL6891034 0.85 CHRM1 (0.65) CHRM1
SCHEMBL6892450 0.85 CHRM1 (0.54) CHRM1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6891717 0.82 CHRM1 (0.54) CHRM1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6891544 0.81 CHRM1 (0.47) CHRM1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL2224496 0.81 GAA (0.55) CHRM1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6890076 0.81 KCNH2 (0.48) SMN1; SMN2KDM4EALDH1A1LMNARAB9A
SCHEMBL6893880 0.80 CHRM1 (0.54) CHRM1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6892513 0.79 CHRM1 (0.64) CHRM1KDM4ERAB9A
SCHEMBL6891970 0.79 GAA (0.49) SMN1; SMN2KDM4EALDH1A1LMNARAB9A

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