SCHEMBL29396604

SCHEMBL29396604

Cc1ccccc1-c1ccc(C(=O)N2CC(=O)C[C@H]2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.57
OXTR P30559 4/20 0.57
FFAR2 O15552 6/20 0.50
AVPR2 P30518 3/20 0.49
SLC6A7 Q99884 1/20 0.45
GHSR Q92847 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA5 P08648 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41

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
SCHEMBL5481411 1.00 AVPR1A (0.57) AVPR1AOXTRFFAR2AVPR2SLC6A7
SCHEMBL6017547 1.00 AVPR1A (0.57) AVPR1AOXTRFFAR2AVPR2SLC6A7
SCHEMBL17413589 0.87 AVPR1A (0.56) AVPR1AOXTRFFAR2AVPR2SLC6A7
SCHEMBL5481224 0.86 HPGD (0.46) OXTRFFAR2SLC6A7
SCHEMBL4428848 0.83 AVPR1A (0.69) AVPR1AOXTRFFAR2AVPR2SLC6A7
SCHEMBL4428850 0.83 AVPR1A (0.69) AVPR1AOXTRFFAR2AVPR2SLC6A7
SCHEMBL24313450 0.83 AVPR1A (0.79) AVPR1AOXTRFFAR2AVPR2SLC6A7
SCHEMBL4416107 0.83 AVPR1A (0.79) AVPR1AOXTRFFAR2AVPR2SLC6A7
SCHEMBL5034150 0.83 AVPR1A (0.79) AVPR1AOXTRFFAR2AVPR2SLC6A7
SCHEMBL29449382 0.83 AVPR1A (0.79) AVPR1AOXTRFFAR2AVPR2SLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4129979-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS ObsEva S.A. (CH) 2023-02-08 EP disclosed
CN-110960495-B Oral formulations of pyrrolidine derivatives 奥布赛瓦股份公司 2022-05-10 CN disclosed
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
CN-114105850-A Crystals useful in methods of treating disorders associated with OT-R activity 奥布赛瓦股份公司 2022-03-01 CN disclosed
CN-114105851-A Crystals useful in methods of treating disorders associated with OT-R activity 奥布赛瓦股份公司 2022-03-01 CN disclosed