SCHEMBL9207220

SCHEMBL9207220

COc1ccc2[nH]cc(CCC(=O)Nc3ccccc3C(=O)O)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
MAPT P10636 1/20 0.66
HCAR2 Q8TDS4 2/20 0.61
PTGS1 P23219 1/20 0.61
PTGS2 P35354 1/20 0.61
MTNR1A P48039 7/20 0.60
MTNR1B P49286 6/20 0.60
POLB P06746 1/20 0.58
CDK2 P24941 1/20 0.57
FAAH O00519 2/20 0.57
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A1 P04798 1/20 0.54
MPO P05164 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR1A P08908 1/20 0.54
CYP2D6 P10635 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL9208268 0.92 MEN1 (0.66) MEN1KMT2AMAPTPTGS1PTGS2
SCHEMBL14441255 0.86 PTGS1 (0.59) MEN1KMT2AMAPTHCAR2PTGS1
SCHEMBL9208939 0.84 MAPT (0.62) MEN1KMT2AMAPTPTGS1PTGS2
5-Methoxytryptamine SCHEMBL31454739 0.81 TRPM8 (0.74) MEN1KMT2AMAPTPTGS1PTGS2
SCHEMBL28409511 0.79 PTGS2 (0.78) MEN1KMT2APTGS1PTGS2MTNR1A
SCHEMBL10670286 0.79 MTNR1A (0.71) MEN1KMT2AMAPTMTNR1AMTNR1B
SCHEMBL3024961 0.79 KDM4E (0.75) MEN1KMT2AMAPTMTNR1AMTNR1B
SCHEMBL9203635 0.78 MAPT (0.64) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL9054622 0.78 MTNR1A (0.66) MEN1KMT2AMAPTMTNR1AMTNR1B
SCHEMBL5207887 0.78 KDM4E (0.60) MEN1KMT2AMAPTMTNR1AMTNR1B

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