SCHEMBL9688577

SCHEMBL9688577

CN(C)CCCCC(=O)NCCc1c2n(c3ccccc13)C(=O)CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.45
MTNR1B P49286 8/20 0.45
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 2/20 0.39
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD4 P21917 1/20 0.37
SLC6A2 P23975 1/20 0.37
HRH2 P25021 1/20 0.37
HTR2A P28223 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
SCHEMBL9688428 0.99 MTNR1A (0.44) MTNR1AMTNR1BMAPTTP53KDM4E
SCHEMBL9687551 0.87 MTNR1A (0.45) MTNR1AMTNR1BTP53HTTALDH1A1
SCHEMBL10472793 0.86 MTNR1A (0.45) MTNR1AMTNR1BHTTALDH1A1HDAC1
SCHEMBL9688248 0.83 MTNR1A (0.55) MTNR1AMTNR1BMAPTTP53KDM4E
SCHEMBL9688069 0.83 HPGD (0.47) MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL9688587 0.83 MTNR1A (0.54) MTNR1AMTNR1BMAPTTP53KDM4E
Hydrochloric Acid SCHEMBL9688826 0.81 MTNR1A (0.52) MTNR1AMTNR1BMAPTTP53KDM4E
SCHEMBL9687680 0.80 HDAC1 (0.43) MTNR1AMTNR1BMAPTTP53KDM4E
SCHEMBL9687497 0.78 NAMPT (0.43) MAPTDRD2DRD4DRD3ALDH1A1
SCHEMBL9688855 0.77 RAB9A (0.47) MTNR1AMTNR1BALDH1A1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279125-B1 TETRAHYDROPYRIDO(1,2-A)INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM - WUELFING GmbH & Co. KG (DE) 1992-04-29 EP claimed
EP-0279125-A1 Tetrahydropyrido(1,2-a)indole derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM - WUELFING GmbH & Co. KG (DE) 1988-08-24 EP claimed
EP-0279125-B1 TETRAHYDROPYRIDO(1,2-A)INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM - WUELFING GmbH & Co. KG (DE) 1992-04-29 EP disclosed
US-4968699-A CENTRAL NERVOUS SYSTEM; ANTIISCHEMIC AND ANTIHYPOXIC AGENTS; ACTIVE AGAINST CEREBRAL OXYGEN DEFICIENCY BEECHAM-WUELFING GMBH & CO. (DE) 1990-11-06 US disclosed
EP-0279125-A1 Tetrahydropyrido(1,2-a)indole derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM - WUELFING GmbH & Co. KG (DE) 1988-08-24 EP disclosed