SCHEMBL8975503

SCHEMBL8975503

CC(C)(C)OC(=O)CN1C(=O)C(N(C(N)=O)c2cccc(C(F)(F)F)c2)CCCC1C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EPHX1 P07099 2/20 0.34
PLA2G10 O15496 1/20 0.34
PLA2G5 P39877 1/20 0.34
KCNN4 O15554 2/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL8919489 0.89 L3MBTL1 (0.37) CCR2ALDH1A1MEN1KMT2AMAPT
SCHEMBL8922628 0.88 PLA2G10 (0.35) CCR2ALDH1A1PLA2G10PLA2G5PDE4A
SCHEMBL8921163 0.87 CCKBR (0.38) ALDH1A1MEN1KMT2APLA2G10PLA2G5
SCHEMBL8920807 0.79 CCKBR (0.37) ALDH1A1MEN1KMT2ARAB9AGAA
SCHEMBL8920820 0.79 CCKBR (0.40) KMT2ARAB9AMAPTPLA2G10PLA2G5
SCHEMBL8921392 0.78 PLA2G10 (0.35) ALDH1A1PLA2G10PLA2G5OPRM1OPRL1
SCHEMBL8920687 0.77 CCKBR (0.38) MEN1KMT2APLA2G10PLA2G5CYP3A4
SCHEMBL8975506 0.76 EPHX2 (0.51) ALDH1A1MEN1KMT2APOLBRAB9A
SCHEMBL8920349 0.76 RAMP1 (0.42) ALDH1A1MEN1KMT2ARAB9AGAA
SCHEMBL8921722 0.75 RAMP1 (0.41) MAPTPLA2G10PLA2G5

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-5484917-A FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS, PAIN AND ANXIETY PFIZER INC. (US) 1996-01-16 US disclosed
EP-0625145-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1994-11-23 EP disclosed
WO-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO disclosed