SCHEMBL9688077

SCHEMBL9688077

O=C(CCc1ccccc1)NCCc1c2c(n3ccccc13)C(=O)CCC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
TP53 P04637 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 4/20 0.41
THRB P10828 1/20 0.40
MEN1 O00255 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL10472794 0.87 TP53 (0.40) HPGDTP53RXFP1MAPTKMT2A
SCHEMBL10379105 0.85 SIGMAR1 (0.39) TP53RXFP1MAPTKMT2AMEN1
SCHEMBL9687546 0.84 HPGD (0.51) HPGDTP53RXFP1MAPTKMT2A
SCHEMBL9688588 0.84 MAPT (0.46) TP53RXFP1MAPTKMT2ATHRB
SCHEMBL9688715 0.83 HRH3 (0.43) TP53MAPTKMT2AMEN1GAA
Water SCHEMBL9688643 0.82 HRH3 (0.42) TP53MAPTKMT2AMEN1GAA
SCHEMBL9797249 0.81 TP53 (0.42) HPGDTP53KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL10379395 0.81 GAA (0.40) TP53MAPTKMT2AMEN1GAA
SCHEMBL9687687 0.81 HDAC1 (0.42) HPGDTP53RXFP1MAPTKMT2A
SCHEMBL10377895 0.78 SIGMAR1 (0.45)

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