SCHEMBL6967645

SCHEMBL6967645

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc(N)cc2)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.40
PPARG P37231 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NOTUM Q6P988 1/20 0.38
DPP4 P27487 1/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
SRD5A1 P18405 2/20 0.36
SRD5A2 P31213 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPM2 O94759 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
SCHEMBL6965972 0.88 SMN1; SMN2 (0.42) PPARGLMNAALDH1A1MEN1RAB9A
SCHEMBL6970661 0.88 ALDH1A1 (0.46) PPARGLMNAALDH1A1NPSR1USP2
SCHEMBL6969382 0.86 LMNA (0.55) PPARGLMNAALDH1A1NPSR1USP2
SCHEMBL6969797 0.86 LMNA (0.44) PPARGLMNAALDH1A1NPSR1DPP4
SCHEMBL6962852 0.85 CA1 (0.43) PPARGLMNAALDH1A1NPSR1USP2
SCHEMBL6960127 0.85 NPSR1 (0.49) PPARGLMNAALDH1A1NPSR1NOTUM
SCHEMBL6969459 0.84 ALDH1A1 (0.46) PPARGLMNAALDH1A1NPSR1USP2
SCHEMBL6957268 0.80 AVPR2 (0.56)
SCHEMBL6968111 0.78 ALDH1A1 (0.43) LMNAALDH1A1NPSR1USP2HTT
SCHEMBL6960505 0.76 LMNA (0.52) PPARGLMNAALDH1A1NPSR1USP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed