SCHEMBL9208939

SCHEMBL9208939

O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
ALDH1A1 P00352 2/20 0.62
GAA P10253 1/20 0.62
CTSL P07711 1/20 0.59
HPGD P15428 2/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
POLB P06746 2/20 0.58
HTT P42858 1/20 0.57
RECQL P46063 1/20 0.57
FAAH O00519 1/20 0.56
GFER P55789 1/20 0.56
CDK2 P24941 1/20 0.56
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55

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
SCHEMBL14441237 0.93 MAPT (0.69) MAPTALDH1A1GAAHPGDKMT2A
SCHEMBL9205145 0.87 KMT2A (0.62) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL9203635 0.87 MAPT (0.64) MAPTALDH1A1GAACTSLHPGD
SCHEMBL14441255 0.86 PTGS1 (0.59) MAPTALDH1A1CTSLHPGDKMT2A
SCHEMBL14441242 0.86 RAB9A (0.62) MAPTALDH1A1GAAHPGDKMT2A
SCHEMBL9207220 0.84 MEN1 (0.66) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL1520454 0.84 MAPT (0.67) MAPTALDH1A1GAACTSLHPGD
SCHEMBL31447965 0.83 MAPT (0.70) MAPTALDH1A1GAAHPGDKMT2A
SCHEMBL28374383 0.82 MAPT (0.56) MAPTALDH1A1GAAHPGDKMT2A
SCHEMBL12371556 0.82 MAPT (0.78) MAPTALDH1A1GAACTSLHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0475755-B1 3-Aryl-4(3H)quinazolinone CCK antagonists and pharmaceutical formulations thereof LILLY CO ELI (US) 1995-09-27 EP disclosed
US-5196427-A Gastrointestinal and central nervous system disorders; hormone inhibitors ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed
EP-0475755-A1 3-Aryl-4(3H)quinazolinone CCK antagonists and pharmaceutical formulations thereof ELI LILLY AND COMPANY (US) 1992-03-18 EP disclosed
US-5075313-A For bindign to cholecystokinin receptors ELI LILLY AND COMPANY (US) 1991-12-24 US disclosed