SCHEMBL7791760

SCHEMBL7791760

CCCC(=O)N[C@@H]1CSc2cc(C(F)(F)F)ccc2N(Cc2ccc(-c3ccccc3CNC(=O)NCC)cc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.55
F7 P08709 8/20 0.39
F3 P13726 8/20 0.39
XIAP P98170 1/20 0.38
F2 P00734 3/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
THRB P10828 1/20 0.36
FPR1 P21462 3/20 0.35
FPR2 P25090 3/20 0.35
AGTR1 P30556 1/20 0.35
F10 P00742 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL7791676 0.94 GHSR (0.54) GHSRF7F3XIAPF2
SCHEMBL7795553 0.94 GHSR (0.53) GHSRF7F3XIAPF2
SCHEMBL7795578 0.92 GHSR (0.47) GHSRF7F3XIAPF2
SCHEMBL7791998 0.92 GHSR (0.57) GHSRF7F3XIAPF2
SCHEMBL7795533 0.92 GHSR (0.54) GHSRF7F3XIAPF2
SCHEMBL7791798 0.91 GHSR (0.67) GHSRF7F3XIAPF2
SCHEMBL7792504 0.90 GHSR (0.60) GHSRF7F3XIAPF2
SCHEMBL7785956 0.89 GHSR (0.56) GHSRF7F3XIAPF2
SCHEMBL7791835 0.89 GHSR (0.53) GHSRF7F3XIAPMAPT
SCHEMBL7785920 0.89 GHSR (0.53) GHSRF7F3XIAPF2

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-0659179-B1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2001-11-21 EP claimed
EP-0659179-B1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2001-11-21 EP disclosed