SCHEMBL7347374

SCHEMBL7347374

CC(C)OC(=O)C(=O)C(Cc1ccccc1)N1CCC[C@H]1C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.44
GAA P10253 1/20 0.42
POLB P06746 2/20 0.41
ACE P12821 7/20 0.40
CAPN1 P07384 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GFER P55789 1/20 0.38
PSMB1 P20618 3/20 0.38
PSMB2 P49721 3/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
PSMB11 A5LHX3 2/20 0.38
PSMA7 O14818 2/20 0.38
PSMA1 P25786 2/20 0.38
PSMA2 P25787 2/20 0.38

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
SCHEMBL6701578 1.00 REN (0.44) RENGAAPOLBACECAPN1
SCHEMBL7347210 0.93 GAA (0.46) RENGAAPOLBACECAPN1
SCHEMBL7348947 0.89 CAPN1 (0.46) RENGAAPOLBACECAPN1
SCHEMBL7380813 0.85 REN (0.45) RENGAAPOLBACECAPN1
SCHEMBL7356334 0.84 POLB (0.43) RENGAAPOLBACECAPN1
SCHEMBL7348519 0.84 POLB (0.43) RENGAAPOLBACECAPN1
SCHEMBL7356125 0.81 GAA (0.49) RENGAAPOLBACECAPN1
Hydrochloric Acid SCHEMBL4447405 0.81 KMT2A (0.43) GAAPOLBKDM4ECYP2C19PSMB1
SCHEMBL6701580 0.80 OPRM1 (0.48) ACECAPN1OPRM1OPRD1OPRK1
SCHEMBL7347378 0.80 OPRM1 (0.48) ACECAPN1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644892-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1995-03-29 EP claimed
WO-1993025574-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1993-12-23 WO claimed
EP-0644892-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1995-03-29 EP disclosed
WO-1993025574-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1993-12-23 WO disclosed