SCHEMBL8073835

SCHEMBL8073835

O=C(Nc1ccc(C(F)(F)F)cc1)NC(c1ccccc1)C(NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.62
NPC1 O15118 1/20 0.62
FPR2 P25090 2/20 0.55
EPHX2 P34913 3/20 0.54
LMNA P02545 2/20 0.51
HPGD P15428 1/20 0.51
P2RX1 P51575 1/20 0.49
LDHA P00338 1/20 0.48
LDHB P07195 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
RORC P51449 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
PTGS1 P23219 1/20 0.47
STING1 Q86WV6 1/20 0.46
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL8073834 1.00 RAB9A (0.62) RAB9ANPC1FPR2EPHX2LMNA
SCHEMBL8074018 0.89 FPR2 (0.57) RAB9ANPC1FPR2EPHX2MEN1
SCHEMBL8074023 0.89 FPR2 (0.57) RAB9ANPC1FPR2EPHX2MEN1
SCHEMBL8072202 0.89 FPR2 (0.57) RAB9ANPC1FPR2EPHX2MEN1
SCHEMBL8067629 0.88 FPR2 (0.56) RAB9ANPC1FPR2EPHX2MEN1
SCHEMBL8067627 0.88 FPR2 (0.56) RAB9ANPC1FPR2EPHX2MEN1
SCHEMBL9125880 0.87 UTS2R (0.57) RAB9ANPC1FPR2EPHX2MEN1
SCHEMBL8067530 0.87 UTS2R (0.57) RAB9ANPC1FPR2EPHX2MEN1
SCHEMBL8058666 0.87 FPR2 (0.59) RAB9ANPC1FPR2EPHX2LMNA
SCHEMBL8074038 0.87 FPR2 (0.55) RAB9ANPC1FPR2EPHX2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6103761-A Agents acting at cholecystokinin receptors WARNER-LAMBERT COMPANY (US) 2000-08-15 US disclosed
US-5389682-A Appetite suppressants, anxiolytic agents, gastric acid inhibition WARNER-LAMBERT COMPANY (US) 1995-02-14 US disclosed
WO-1994006757-A1 AGENTS ACTING AT CHOLECYSTOKININ RECEPTORS WARNER-LAMBERT COMPANY (US) 1994-03-31 WO disclosed