SCHEMBL9014151

SCHEMBL9014151

CC(=O)N1CCC(Oc2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
SLC6A3 Q01959 1/20 0.55
ITGB2 P05107 1/20 0.51
ICAM1 P05362 1/20 0.51
ITGAL P20701 1/20 0.51
ALDH1A1 P00352 4/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.46
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44
OPRK1 P41145 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL2481721 0.89 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3ALDH1A1CHRNB4
SCHEMBL2481879 0.85 GPR119 (0.53) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL29796085 0.85 GPR119 (0.53) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL374672 0.84 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
SCHEMBL9014017 0.84 ALDH1A1 (0.55) ALDH1A1MAPTPOLBHPGDLMNA
SCHEMBL22735334 0.84 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3ALDH1A1CHRNB4
SCHEMBL4707629 0.84 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3ALDH1A1CHRNB4
SCHEMBL29739455 0.82 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3ALDH1A1CHRNB4
SCHEMBL19878954 0.82 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3ALDH1A1CHRNB4
SCHEMBL30996465 0.81 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5580883-A INHIBITING DEGENERATION AND NECROCYTOSIS OF CEREBRAL NERVE CELLS CAUSED BY OXIDATIVE STRESS INDUCING GLUTAMIC ACID IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-03 US disclosed
EP-0449195-B1 Aminobenzene compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-05-08 EP disclosed
EP-0449195-A2 Aminobenzene compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-10-02 EP disclosed