SCHEMBL5043513

SCHEMBL5043513

CON=C1C[C@@H](C(=O)O)N(C(=O)c2ccc(-c3ccccc3)c(C)c2)C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.62
OXTR P30559 7/20 0.62
AVPR2 P30518 4/20 0.38
FFAR2 O15552 3/20 0.38
AVPR1B P47901 1/20 0.38
OPRD1 P41143 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
EPHX1 P07099 1/20 0.36
ROCK2 O75116 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL16550612 0.90 AVPR1A (0.78) AVPR1AOXTRAVPR2AVPR1BOPRD1
SCHEMBL28754783 0.90 AVPR1A (0.78) AVPR1AOXTRAVPR2AVPR1BOPRD1
SCHEMBL16550611 0.90 AVPR1A (0.78) AVPR1AOXTRAVPR2AVPR1BOPRD1
SCHEMBL16550680 0.90 AVPR1A (0.78) AVPR1AOXTRAVPR2AVPR1BOPRD1
SCHEMBL24313450 0.88 AVPR1A (0.79) AVPR1AOXTRAVPR2FFAR2
SCHEMBL5034150 0.88 AVPR1A (0.79) AVPR1AOXTRAVPR2FFAR2
SCHEMBL5036670 0.88 AVPR1A (0.79) AVPR1AOXTRAVPR2FFAR2
SCHEMBL4416107 0.88 AVPR1A (0.79) AVPR1AOXTRAVPR2FFAR2
SCHEMBL29449382 0.88 AVPR1A (0.79) AVPR1AOXTRAVPR2FFAR2
SCHEMBL5566381 0.87 AVPR1A (0.77) AVPR1AOXTRAVPR2FFAR2

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
CN-110960495-B Oral formulations of pyrrolidine derivatives 奥布赛瓦股份公司 2022-05-10 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
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-110960495-A Oral formulations of pyrrolidine derivatives 奥布赛瓦股份公司 2020-04-07 CN disclosed
EP-1390347-B1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACTIVITY SERONO LAB (CH) 2008-05-07 EP disclosed