SCHEMBL9688439

SCHEMBL9688439

CN(C)CCCCCC(=O)NCCc1c2c(n3ccccc13)C(=O)CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
TP53 P04637 6/20 0.45
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DNM1 Q05193 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CREBBP Q92793 1/20 0.35
POLB P06746 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 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
SCHEMBL9688588 0.99 MAPT (0.46) MAPTTP53MTNR1AMTNR1BCYP2C9
SCHEMBL9688594 0.86 TP53 (0.45) MAPTTP53MTNR1AMTNR1BDNM1
SCHEMBL10472794 0.86 TP53 (0.40) MAPTTP53MTNR1AMTNR1BLMNA
Hydrochloric Acid SCHEMBL9688836 0.84 TP53 (0.43) MAPTTP53MTNR1AMTNR1BDNM1
SCHEMBL9688715 0.84 HRH3 (0.43) MAPTTP53MEN1KMT2A
Water SCHEMBL9688643 0.83 HRH3 (0.42) MAPTTP53MEN1KMT2A
SCHEMBL9688077 0.83 HPGD (0.46) MAPTTP53LMNAMEN1KMT2A
SCHEMBL9687687 0.80 HDAC1 (0.42) MAPTTP53MEN1KMT2ARXFP1
SCHEMBL9687505 0.78 ACHE (0.44) MAPTTP53KMT2AHDAC3HDAC1
SCHEMBL9687734 0.76 NAMPT (0.45) MAPTTP53LMNAMEN1KMT2A

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