SCHEMBL9687687

SCHEMBL9687687

CN(C)c1ccc(CC(=O)NCCc2c3c(n4ccccc24)C(=O)CCC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
TP53 P04637 3/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
CACNA1G O43497 4/20 0.37
CACNA1I Q9P0X4 4/20 0.37
CACNA1H O95180 3/20 0.37
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.35
CREBBP Q92793 1/20 0.35
CNR2 P34972 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL9687505 0.87 ACHE (0.44) HDAC1TP53ALDH1A1HPGDKMT2A
SCHEMBL9687685 0.87 HDAC1 (0.45) HDAC1TP53ALDH1A1HPGDCACNA1G
SCHEMBL10378884 0.85 CA12 (0.39) HDAC1TP53ALDH1A1CACNA1GKMT2A
Hydrochloric Acid SCHEMBL10571639 0.84 CA12 (0.38) HDAC1TP53ALDH1A1CACNA1GKMT2A
SCHEMBL9687734 0.81 NAMPT (0.45) HDAC1TP53ALDH1A1KMT2AMAPT
SCHEMBL9688077 0.81 HPGD (0.46) TP53ALDH1A1HPGDKMT2AMAPT
SCHEMBL9688588 0.81 MAPT (0.46) TP53KMT2AMAPTCREBBPRXFP1
SCHEMBL9688439 0.80 MAPT (0.45) HDAC1TP53KMT2AMAPTCREBBP
SCHEMBL10472794 0.78 TP53 (0.40) TP53ALDH1A1HPGDKMT2AMAPT
SCHEMBL9687582 0.76 HPGD (0.50) TP53ALDH1A1HPGDKMT2AMAPT

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