SCHEMBL7280581

SCHEMBL7280581

CN(c1ccc(-c2ccccc2C#N)cc1)C1CCCC(OC(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.44
AVPR1A P37288 2/20 0.44
GPR119 Q8TDV5 1/20 0.41
ESR2 Q92731 1/20 0.39
FFAR2 O15552 1/20 0.37
FFAR1 O14842 1/20 0.36
AKR1B1 P15121 1/20 0.36
NR1H4 Q96RI1 2/20 0.36
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
PTPN5 P54829 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
USP30 Q70CQ3 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35

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
SCHEMBL2261 0.79 NR1H4 (0.41) OXTRAVPR1AGPR119ESR2NR1H4
SCHEMBL7276526 0.76 GPR119 (0.42) OXTRAVPR1AGPR119ESR2FFAR2
SCHEMBL2934 0.73 GPR119 (0.43) OXTRAVPR1AGPR119ESR2NR1H4
SCHEMBL7278162 0.70 OXTR (0.40) OXTRAVPR1AGPR119ESR2FFAR1
SCHEMBL3058 0.69 OXTR (0.41) OXTRAVPR1AGPR119ESR2FFAR1
SCHEMBL7272113 0.69 LTB4R2 (0.54) OXTRAVPR1AFFAR1AKR1B1
SCHEMBL17120715 0.67 ESR2 (0.59) ESR2GRIA2GRIA4PTPN5
SCHEMBL8701834 0.65 PAX8 (0.50) OXTRAVPR1AGPR119ESR2FFAR1
SCHEMBL3119 0.65 OXTR (0.46) OXTRAVPR1AGPR119FFAR1AKR1B1
SCHEMBL27795098 0.64 ESR2 (0.49) OXTRAVPR1AESR2PTPN5ABL1

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
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed