SCHEMBL8812151

SCHEMBL8812151

Cc1ccc(-c2ccccc2)c(C(=O)Nc2ccc(C(=O)N(C)c3ccccc3OCCCN)cc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.40
SUCNR1 Q9BXA5 3/20 0.40
TP53 P04637 1/20 0.39
MCHR1 Q99705 2/20 0.38
MAPT P10636 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLK1 P53350 2/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
MTTP P55157 1/20 0.36

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
SCHEMBL7376100 0.91 ALDH1A1 (0.43) GAAALDH1A1MCHR1MAPTCTDSP1
SCHEMBL8811443 0.88 ALDH1A1 (0.44) GAAALDH1A1SMN1; SMN2
SCHEMBL8814196 0.87 GAA (0.37) GAAALDH1A1TP53MCHR1MAPT
SCHEMBL8817159 0.84 AVPR2 (0.40) GAAALDH1A1MTTP
SCHEMBL7373482 0.83 ALDH1A1 (0.44) GAAALDH1A1TP53MAPTNPSR1
SCHEMBL8814959 0.83 MELK (0.46) GAAMCHR1MTTP
SCHEMBL8815131 0.83 TP53 (0.42) GAAALDH1A1TP53MCHR1MAPT
SCHEMBL8813355 0.80 ALDH1A1 (0.51) GAAALDH1A1TP53
SCHEMBL8812405 0.80 KMT2A (0.47) ALDH1A1TP53MAPTNPSR1SMN1; SMN2
SCHEMBL7372810 0.80 ALDH1A1 (0.44) ALDH1A1TP53MAPTSMN1; SMN2MTTP

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-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed