SCHEMBL7378922

SCHEMBL7378922

O=C(O)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
FABP7 O15540 1/20 0.48
FABP5 Q01469 1/20 0.48
POLB P06746 1/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
AGTR2 P50052 2/20 0.46
ACE P12821 2/20 0.45
HTR2C P28335 1/20 0.45
HCRTR2 O43614 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL6222025 1.00 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AFABP7FABP5
SCHEMBL7378920 1.00 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AFABP7FABP5
SCHEMBL6218940 0.92 NPC1 (0.45) SMN1; SMN2NPC1RAB9AFABP7FABP5
SCHEMBL11268603 0.92 NPC1 (0.45) SMN1; SMN2NPC1RAB9AFABP7FABP5
SCHEMBL11281703 0.92 NPC1 (0.45) SMN1; SMN2NPC1RAB9AFABP7FABP5
SCHEMBL6220282 0.91 POLB (0.48) SMN1; SMN2NPC1RAB9APOLBAGTR2
SCHEMBL10571017 0.91 FABP7 (0.50) SMN1; SMN2NPC1RAB9AFABP7FABP5
SCHEMBL6218057 0.90 POLB (0.45) SMN1; SMN2NPC1RAB9APOLBAGTR2
SCHEMBL11248084 0.90 KDM1A (0.44) SMN1; SMN2NPC1RAB9APOLBPSEN1
SCHEMBL7343530 0.90 POLB (0.46) SMN1; SMN2NPC1RAB9AFABP7FABP5

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-0053902-B1 PHOSPHINYLALKANOYL SUBSTITUTED PROLINES E.R. Squibb & Sons, Inc. (US) 1985-04-03 EP disclosed
US-4384123-A Phosphinylalkanoyl substituted prolines E. R. SQUIBB & SONS, INC. (US) 1983-05-17 US disclosed
US-4337201-A Phosphinylalkanoyl substituted prolines E. R. SQUIBB & SONS, INC. (US) 1982-06-29 US disclosed
EP-0053902-A1 Phosphinylalkanoyl substituted prolines E.R. Squibb & Sons, Inc. (US) 1982-06-16 EP disclosed