SCHEMBL7086121

SCHEMBL7086121

CO/N=C1\C[C@@H](C(=O)NC[C@H](O)CO)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.81
OXTR P30559 5/20 0.81
AVPR2 P30518 3/20 0.38
FFAR2 O15552 6/20 0.38
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
SLC6A7 Q99884 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
GHSR Q92847 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
PRMT5 O14744 1/20 0.34

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
SCHEMBL7219662 0.91 OXTR (0.80) AVPR1AOXTRFFAR2MMP1MMP3
SCHEMBL7086107 0.90 OXTR (0.77) AVPR1AOXTRAVPR2FFAR2MMP1
SCHEMBL4936354 0.90 OXTR (1.00) AVPR1AOXTRAVPR2FFAR2MMP1
SCHEMBL4936174 0.90 OXTR (1.00) AVPR1AOXTRAVPR2FFAR2MMP1
SCHEMBL4940385 0.90 OXTR (1.00) AVPR1AOXTRAVPR2FFAR2MMP1
SCHEMBL4943198 0.90 OXTR (1.00) AVPR1AOXTRAVPR2FFAR2MMP1
SCHEMBL5743780 0.90 OXTR (1.00) AVPR1AOXTRAVPR2FFAR2MMP1
SCHEMBL4942975 0.90 OXTR (1.00) AVPR1AOXTRAVPR2FFAR2MMP1
SCHEMBL5743785 0.90 OXTR (1.00) AVPR1AOXTRAVPR2FFAR2MMP1
SCHEMBL4936543 0.90 OXTR (1.00) AVPR1AOXTRAVPR2FFAR2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268418-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2001074769-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-11 WO disclosed