SCHEMBL24313476

SCHEMBL24313476

CO/N=C1/CC(C(=O)OC)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.73
OXTR P30559 5/20 0.73
AVPR2 P30518 3/20 0.44
FFAR2 O15552 3/20 0.41
SLC6A7 Q99884 1/20 0.40
GHSR Q92847 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
PDK2 Q15119 1/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL24313533 1.00 AVPR1A (0.73) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL14492869 1.00 AVPR1A (0.73) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL29642177 1.00 AVPR1A (0.73) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL5041466 1.00 AVPR1A (0.73) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL5041594 1.00 AVPR1A (0.73) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL4416107 0.92 AVPR1A (0.79) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL5034150 0.92 AVPR1A (0.79) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL24313450 0.92 AVPR1A (0.79) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL29449382 0.92 AVPR1A (0.79) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL5036670 0.92 AVPR1A (0.79) AVPR1AOXTRAVPR2FFAR2SLC6A7

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-3252037-B1 PROCESS FOR THE PREPARATION OF (3Z,5S)-5-(HYDROXYMETHYL)-1-[(2´-METHYL-1,1´-BIPHENYL-4-YL)CARBONYL)PYRROLIDIN-3-ONE O-METHYLOXIME ObsEva SA (CH) 2022-03-09 EP disclosed