SCHEMBL9013908

SCHEMBL9013908

CC(=O)N1CCC(Oc2cccc(N)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.48
PIK3CD O00329 3/20 0.47
OPRK1 P41145 2/20 0.47
IKBKB O14920 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
EPHX2 P34913 3/20 0.46
CHUK O15111 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LNPEP Q9UIQ6 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 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
SCHEMBL3292130 0.87 OPRK1 (0.49) OPRK1EPHX2KMT2AMEN1
SCHEMBL2093978 0.86 EPHX2 (0.60) PIK3CDIKBKBHRH3EPHX2CHUK
SCHEMBL13097134 0.86 CHRM3 (0.52) OPRK1IKBKBHRH3EPHX2CHUK
SCHEMBL12377876 0.86 EPHX2 (0.60) IKBKBHRH3EPHX2KMT2A
SCHEMBL2091338 0.83 EPHX2 (0.57) IKBKBEPHX2CHUKCYP4F2CYP4A11
SCHEMBL29796027 0.83 KDM1A (0.58) CHEK2HRH3KMT2AMEN1
Hydrochloric Acid SCHEMBL9013948 0.83 OPRK1 (0.51) PIK3CDOPRK1IKBKBHRH3KMT2A
SCHEMBL20354515 0.83 GPR119 (0.59) OPRK1
SCHEMBL520668 0.83 KDM1A (0.58) CHEK2HRH3KMT2AMEN1
SCHEMBL9013886 0.82 CASP6 (0.53) CHEK2IKBKBHRH3CYP4F2CYP4A11

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