SCHEMBL6421867

SCHEMBL6421867

c1ccc(CNCc2ccoc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAOA P21397 1/20 0.47
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
MAPT P10636 2/20 0.45
CHRM2 P08172 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
PKM P14618 1/20 0.44
BCHE P06276 1/20 0.44
USP2 O75604 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL8436149 0.85 GAA (0.63) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL8439993 0.79 SIGMAR1 (0.70) MAOACHRM2BCHESIGMAR1
Benzene SCHEMBL11697595 0.79 MEN1 (0.78) MEN1KMT2ATDP1MAOATHRB
SCHEMBL5799878 0.79 MEN1 (0.78) MEN1KMT2ATDP1MAOATHRB
SCHEMBL1654 0.79 MEN1 (0.78) MEN1KMT2ATDP1MAOATHRB
SCHEMBL8617029 0.78 HPGD (0.65) MEN1KMT2AMAPTHPGDUSP2
SCHEMBL13123466 0.77
SCHEMBL2717162 0.77
Water SCHEMBL11666905 0.77 MEN1 (0.74) MEN1KMT2ATDP1MAOATHRB
Hydrochloric Acid SCHEMBL1862144 0.77 MEN1 (0.74) MEN1KMT2ATDP1MAOATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed
US-5998433-A THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-07 US disclosed
CN-1160403-A Substd. heterobicyclic alkyl amines and their use as squalene oxide cyclase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-09-24 CN disclosed
EP-0785939-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1997-07-30 EP disclosed
WO-1996011201-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 WO disclosed