SCHEMBL5509355

SCHEMBL5509355

O=C(NCc1cc(Cl)ccc1F)C(O)(c1ccccc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
DDR1 Q08345 5/20 0.42
LMNA P02545 2/20 0.41
RIPK1 Q13546 1/20 0.41
F2 P00734 3/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
CETP P11597 1/20 0.40
TP53 P04637 1/20 0.39
CNR1 P21554 2/20 0.39
SUCNR1 Q9BXA5 1/20 0.39
KLKB1 P03952 1/20 0.39
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5517336 1.00 P2RX7 (0.43) P2RX7DDR1LMNARIPK1F2
SCHEMBL582729 1.00 P2RX7 (0.43) P2RX7DDR1LMNARIPK1F2
SCHEMBL5513992 0.88 KMT2A (0.46) DDR1LMNARIPK1CETPTP53
SCHEMBL582826 0.88 KMT2A (0.46) DDR1LMNARIPK1CETPTP53
SCHEMBL5517353 0.88 KMT2A (0.46) DDR1LMNARIPK1CETPTP53
SCHEMBL5524961 0.86 AKR1B1 (0.42) P2RX7DDR1LMNARIPK1CETP
SCHEMBL582897 0.86 AKR1B1 (0.42) P2RX7DDR1LMNARIPK1CETP
SCHEMBL5511603 0.86 AKR1B1 (0.42) P2RX7DDR1LMNARIPK1CETP
SCHEMBL582810 0.84 RIPK1 (0.44) LMNARIPK1CETPTP53SUCNR1
SCHEMBL5519482 0.84 RIPK1 (0.44) LMNARIPK1CETPTP53SUCNR1

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
US-7268153-B2 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK & CO., INC. (US) 2007-09-11 US claimed