SCHEMBL9687546

SCHEMBL9687546

O=C(CCc1ccccc1)NCCc1c2c(n3ccccc13)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL9687582 0.90 HPGD (0.50) HPGDKMT2AMEN1ALDH1A1TP53
SCHEMBL10474647 0.89 MTNR1A (0.41) HPGDKMT2AMEN1ALDH1A1TP53
SCHEMBL9688077 0.84 HPGD (0.46) HPGDKMT2AMEN1ALDH1A1TP53
SCHEMBL9688674 0.82 HRH3 (0.47) TP53MAPTHDAC1HDAC6
SCHEMBL9688594 0.82 TP53 (0.45) HPGDKMT2AMEN1ALDH1A1TP53
Hydrochloric Acid SCHEMBL9688700 0.81 ALDH1A1 (0.41) HPGDKMT2AMEN1ALDH1A1TP53
SCHEMBL9687685 0.81 HDAC1 (0.45) HPGDKMT2AMEN1ALDH1A1TP53
Hydrochloric Acid SCHEMBL9689421 0.80 HRH3 (0.48) HDAC1HDAC6
SCHEMBL9689143 0.77 ESRRG (0.42) KMT2AMEN1ALDH1A1TP53MAPT
Hydrochloric Acid SCHEMBL9688647 0.77 ESRRG (0.41) KMT2AMEN1ALDH1A1TP53MAPT

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