SCHEMBL7356334

SCHEMBL7356334

O=C1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(=O)[C@@H]2CCCN2[C@@H](Cc2ccccc2)C(=O)C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
REN P00797 1/20 0.43
GAA P10253 1/20 0.40
ELANE P08246 2/20 0.39
CTSG P08311 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ACE P12821 6/20 0.38
CTSS P25774 1/20 0.38
TACR2 P21452 2/20 0.37
CAPN1 P07384 1/20 0.37

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
SCHEMBL7348519 1.00 POLB (0.43) POLBRENGAAELANECTSG
SCHEMBL7350730 0.89 KDM4E (0.45) POLBGAAELANECTSGKDM4E
SCHEMBL4455542 0.89 KDM4E (0.45) POLBGAAELANECTSGKDM4E
SCHEMBL7348947 0.88 CAPN1 (0.46) POLBRENGAAKDM4EACE
SCHEMBL7347210 0.86 GAA (0.46) POLBRENGAAKDM4EACE
SCHEMBL7348400 0.86 REN (0.44) POLBRENGAAKDM4EACE
SCHEMBL7375211 0.86 REN (0.44) POLBRENGAAKDM4EACE
SCHEMBL7347374 0.84 REN (0.44) POLBRENGAAKDM4EACE
SCHEMBL6701578 0.84 REN (0.44) POLBRENGAAKDM4EACE
SCHEMBL7349620 0.82 REN (0.44) POLBRENGAAKDM4EACE

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
WO-1993025574-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1993-12-23 WO disclosed