SCHEMBL7302265

SCHEMBL7302265

CN(CCc1ccncc1)C(=O)C[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.49
ERAP2 Q6P179 1/20 0.49
ERAP1 Q9NZ08 1/20 0.49
CPA1 P15085 4/20 0.49
CPA3 P15088 2/20 0.49
CPB1 P15086 1/20 0.49
CPB2 Q96IY4 1/20 0.49
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MME P08473 1/20 0.44
REN P00797 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
TACR1 P25103 1/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43

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
SCHEMBL7322799 0.83 NPC1 (0.53) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7280361 0.83 NPC1 (0.53) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7280064 0.81 CPA1 (0.57) ANPEPCPA1CPA3CPB1CPB2
Hydrochloric Acid SCHEMBL10449746 0.80 CPA1 (0.55) ANPEPCPA1CPA3CPB1CPB2
SCHEMBL7274920 0.78 CPA1 (0.60) ANPEPCPA1CPA3CPB1CPB2
SCHEMBL7433358 0.78 CPA1 (0.53) ANPEPCPA1CPA3CPB1CPB2
SCHEMBL7280854 0.78 CPA1 (0.53) ANPEPCPA1CPA3CPB1CPB2
SCHEMBL7280901 0.78 REN (0.47) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL6976760 0.78 REN (0.47) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7346172 0.78 CYP1A2 (0.77) ANPEPERAP2ERAP1CPA1CPA3

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
US-5063208-A Cardiovascular disorders, vision defects ABBOTT LABORATORIES (US) 1991-11-05 US disclosed
EP-0410260-A2 Peptidyl aminodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-01-30 EP disclosed