SCHEMBL7562914

SCHEMBL7562914

NC(=O)N1CCN(C(=O)[C@H](O)[CH]Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.43
LTA4H P09960 1/20 0.42
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRM1 P11229 5/20 0.42
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
OPRK1 P41145 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8411053 0.86 HSD17B10 (0.59) ALDH1A1SMN1; SMN2HSD17B10CHRM1POLB
SCHEMBL8411492 0.78 FUCA1 (0.37) ALDH1A1SMN1; SMN2HSD17B10CHRM1
SCHEMBL7839034 0.78 HSD11B1 (0.40) ALDH1A1SMN1; SMN2HSD17B10CHRM1KMT2A
SCHEMBL8413126 0.78 FUCA1 (0.37) ALDH1A1SMN1; SMN2HSD17B10CHRM1
SCHEMBL8413980 0.77 DPP4 (0.40) ALDH1A1CHRM1POLBKMT2A
SCHEMBL27660866 0.76 EPHX1 (0.46) ALDH1A1CYP1A2POLB
SCHEMBL28026869 0.76 EPHX1 (0.46) ALDH1A1CYP1A2POLB
Diphenylmethane SCHEMBL28522550 0.74 LTA4H (0.64) ALDH1A1SMN1; SMN2LTA4HHTTNPSR1
SCHEMBL6339526 0.74 ERAP2 (0.48) LTA4H
SCHEMBL3137083 0.74 ERAP2 (0.48) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832066-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-09-12 EP claimed
EP-1224179-A2 SODIUM-HYDROGEN EXCHANGER TYPE 1 INHIBITOR CRYSTALS Pfizer Products Inc. (US) 2002-07-24 EP disclosed
WO-2001030759-A2 SODIUM-HYDROGEN EXCHANGER TYPE 1 INHIBITOR CRYSTALS PFIZER PRODUCTS INC. (US) 2001-05-03 WO disclosed
EP-1032424-A1 COMBINATION OF AN ALDOSE REDUCTASE INHIBITOR AND A GLYCOGEN PHOSPHORYLASE INHIBITOR Pfizer Products Inc. (US) 2000-09-06 EP disclosed
WO-1999026659-A1 COMBINATION OF AN ALDOSE REDUCTASE INHIBITOR AND A GLYCOGEN PHOSPHORYLASE INHIBITOR PFIZER PRODUCTS INC. (US) 1999-06-03 WO disclosed