SCHEMBL9014012

SCHEMBL9014012

CCCCCCNC(C)=O.c1ccc(CC2CNCCC2Oc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
ACACB O00763 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
NAAA Q02083 1/20 0.38
GBA1 P04062 1/20 0.38
EPHX1 P07099 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
EGFR P00533 1/20 0.37

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
SCHEMBL9014140 0.80 HRH1 (0.54) L3MBTL1ACACBZDHHC2ALDH1A1GNAI3
SCHEMBL9014112 0.72 OPRK1 (0.53) L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL19157371 0.69 GBA1 (0.50) GBA1
Bromobenzene SCHEMBL28025852 0.65 NAAA (0.59) L3MBTL1MEN1KMT2AHPGDALDH1A1
SCHEMBL7226927 0.64 GBA1 (0.68) GBA1
SCHEMBL8035229 0.64 GBA1 (0.48) GBA1
SCHEMBL8550095 0.63 MEN1 (0.46) L3MBTL1MEN1KMT2AHPGDGBA1
SCHEMBL4709103 0.63 GBA1 (0.53) GBA1
SCHEMBL16658696 0.63 TRPV1 (0.68) L3MBTL1KMT2AHPGDALDH1A1TSHR
SCHEMBL16658733 0.63 TRPV1 (0.68) L3MBTL1KMT2AHPGDALDH1A1TSHR

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 2 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