SCHEMBL9688715

SCHEMBL9688715

O=C(CCCCN1CCCCC1)NCCc1c2c(n3ccccc13)C(=O)CCC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
HTR7 P34969 8/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
CCR5 P51681 1/20 0.39
GLS O94925 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 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
Water SCHEMBL9688643 0.99 HRH3 (0.42) HRH3HTR7GAAMEN1KMT2A
SCHEMBL9688674 0.86 HRH3 (0.47) HRH3HTR7GAAMAPTGLS
SCHEMBL10472794 0.86 TP53 (0.40) MEN1KMT2AMAPTTP53
SCHEMBL9688588 0.84 MAPT (0.46) MEN1KMT2AMAPTTP53
Hydrochloric Acid SCHEMBL9689421 0.84 HRH3 (0.48) HRH3HTR7GAAGLS
SCHEMBL9688077 0.83 HPGD (0.46) GAAMEN1KMT2AMAPTTP53
SCHEMBL9797249 0.75 TP53 (0.42) MEN1KMT2ATP53
SCHEMBL9687687 0.74 HDAC1 (0.42) MEN1KMT2AMAPTTP53
SCHEMBL10378913 0.73 TP53 (0.38) MEN1KMT2AMAPTCYP3A4NPSR1
SCHEMBL9687505 0.72 ACHE (0.44) KMT2AMAPTTP53

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 2 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