SCHEMBL9687680

SCHEMBL9687680

CN(C)c1ccc(CC(=O)NCCc2c3n(c4ccccc24)C(=O)CCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
TP53 P04637 1/20 0.41
MTNR1A P48039 5/20 0.40
MTNR1B P49286 5/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CACNA1G O43497 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
KMT2A Q03164 1/20 0.37
GLS O94925 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
SCHEMBL9687497 0.87 NAMPT (0.43) HDAC1ALDH1A1HPGDMAPTKMT2A
SCHEMBL9687679 0.85 MTNR1A (0.50) HDAC1PTGDR2TP53MTNR1AMTNR1B
SCHEMBL10377658 0.84 CA12 (0.40) HDAC1PTGDR2ALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL10379472 0.83 CA12 (0.39) HDAC1PTGDR2ALDH1A1MAPTCACNA1G
SCHEMBL9687727 0.80 NAMPT (0.46) HDAC1TP53ALDH1A1HPGDKDM4E
SCHEMBL9688069 0.80 HPGD (0.47) MTNR1AMTNR1BALDH1A1HPGDKDM4E
SCHEMBL9688577 0.80 MTNR1A (0.45) HDAC1TP53MTNR1AMTNR1BALDH1A1
SCHEMBL9688428 0.79 MTNR1A (0.44) HDAC1TP53MTNR1AMTNR1BALDH1A1
SCHEMBL10472793 0.77 MTNR1A (0.45) HDAC1MTNR1AMTNR1BALDH1A1HPGD
SCHEMBL9687685 0.77 HDAC1 (0.45) HDAC1PTGDR2TP53ALDH1A1HPGD

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