SCHEMBL7357285

SCHEMBL7357285

COc1cc(C(=O)N2CCCCc3cc(Cl)ccc32)ccc1NC(=O)c1ccccc1OCCNC(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.50
AVPR1B P47901 5/20 0.50
AVPR2 P30518 10/20 0.48
TP53 P04637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.44
IDO1 P14902 2/20 0.43
KCNH2 Q12809 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL7383926 0.96 AVPR1A (0.49) AVPR1AAVPR1BAVPR2TP53MEN1
SCHEMBL7354914 0.89 AVPR2 (0.53) AVPR1AAVPR1BAVPR2TP53MEN1
SCHEMBL4685018 0.89 AVPR1A (0.48) AVPR1AAVPR1BAVPR2TP53MAPT
SCHEMBL7359772 0.88 AVPR2 (0.56) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL4687327 0.85 AVPR2 (0.55) AVPR1AAVPR1BAVPR2TP53MEN1
SCHEMBL4687283 0.84 AVPR2 (0.51) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL4688331 0.84 KMT2A (0.48) AVPR1AAVPR1BAVPR2TP53MEN1
SCHEMBL4685480 0.83 AVPR2 (0.48) AVPR1AAVPR1BAVPR2TP53MEN1
SCHEMBL7353530 0.79 SPTLC2 (0.51) AVPR1AAVPR1BAVPR2LMNA
SCHEMBL7354543 0.79 AVPR2 (0.57) AVPR1AAVPR2TP53MEN1KMT2A

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
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed