SCHEMBL6543907

SCHEMBL6543907

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.51
CPA2 P48052 1/20 0.51
CPA4 Q9UI42 1/20 0.51
ACE P12821 7/20 0.50
F2 P00734 3/20 0.48
POLB P06746 1/20 0.48
CTRB1 P17538 1/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CMA1 P23946 1/20 0.47
ITGB1 P05556 3/20 0.47
ITGA4 P13612 3/20 0.47
ACE2 Q9BYF1 1/20 0.45

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
SCHEMBL10956149 0.89 F2 (0.48) CPA1CPA2CPA4ACEF2
SCHEMBL6352076 0.88 ACE (0.54) CPA1CPA2CPA4ACEF2
Hydrochloric Acid SCHEMBL10974113 0.85 DPP4 (0.56) CPA1CPA2CPA4ACEF2
SCHEMBL20707067 0.84 CYP3A4 (0.52) ACEF2CYP2C19CYP3A4CYP2C9
SCHEMBL31084237 0.83 CTRB1 (0.69) CTRB1ACE2
SCHEMBL9243269 0.83 CTRB1 (0.69) CTRB1ACE2
SCHEMBL9243277 0.83 CTRB1 (0.69) CTRB1ACE2
SCHEMBL6354335 0.82 PSMB9 (0.51) F2ITGB1ITGA4
SCHEMBL9334678 0.82 PREP (0.60) ACECTRB1CYP3A4CMA1
SCHEMBL9334682 0.82 PREP (0.60) ACECTRB1CYP3A4CMA1

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-1372620-A2 METHODS FOR RESTORING COGNITIVE FUNCTION FOLLOWING SYSTEMIC STRESS Saegis Pharmaceuticals (US) 2004-01-02 EP disclosed
WO-2002074293-A2 METHODS FOR RESTORING COGNITIVE FUNCTION FOLLOWING SYSTEMIC STRESS SAEGIS PHARMACEUTICALS INC (US) 2002-09-26 WO disclosed