SCHEMBL9013972

SCHEMBL9013972

CN(C)c1ccc(OC2CCN(OC(=O)/C=C/C(=O)ON3CCC(Oc4ccc(N(C)C)cc4)CC3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.41
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
RAB9A P51151 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GPR183 P32249 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ACACB O00763 1/20 0.38

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
SCHEMBL9013895 0.84 KMT2A (0.38) HRH3KMT2AMEN1RAB9AMAPT
SCHEMBL9253235 0.79 CCR3 (0.43) CCR3KMT2AMEN1LMNAKDM4E
SCHEMBL9014066 0.79 CYP4F2 (0.49) HRH3HRH1CCR3KMT2AKDM4E
SCHEMBL9013798 0.78 FFAR4 (0.44) HRH3HRH1CCR3ACACB
SCHEMBL9556943 0.77 KDM4E (0.40) HRH3KDM4EALDH1A1
SCHEMBL9013888 0.76 FFAR4 (0.42) HRH3RAB9AMAPTKDM4EALDH1A1
SCHEMBL23465732 0.74 GPR119 (0.63) HRH3ALDH1A1
SCHEMBL9014050 0.73 NAMPT (0.41) HRH3CCR3
SCHEMBL9249677 0.73 HSD17B3 (0.42) KMT2AMEN1RAB9AMAPTLMNA
Fumaric Acid SCHEMBL9013968 0.73 HRH1 (0.53) HRH3HRH1DDB1CRBN

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