SCHEMBL9687719

SCHEMBL9687719

CC(C)N(c1cccc(C(=O)NCCc2c3c(n4ccccc24)C(=O)CCC3)c1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
GFER P55789 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 6/20 0.37
NPC1 O15118 5/20 0.37
TP53 P04637 2/20 0.36
NAMPT P43490 1/20 0.35
PARP1 P09874 5/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9687734 0.91 NAMPT (0.45) ALDH1A1GFERSMN1; SMN2MAPTTSHR
SCHEMBL10377910 0.87 ALDH1A1 (0.39) ALDH1A1GFERSMN1; SMN2MAPTTSHR
SCHEMBL9687552 0.84 NPC1 (0.43) ALDH1A1GFERSMN1; SMN2MAPTTSHR
Hydrochloric Acid SCHEMBL10379132 0.83 NPC1 (0.42) ALDH1A1GFERSMN1; SMN2MAPTTSHR
SCHEMBL9688578 0.82 NPC1 (0.46) ALDH1A1GFERSMN1; SMN2MAPTTSHR
SCHEMBL9687505 0.82 ACHE (0.44) ALDH1A1SMN1; SMN2MAPTTSHRNPC1
SCHEMBL9689169 0.82 NPC1 (0.45) ALDH1A1GFERSMN1; SMN2MAPTTSHR
SCHEMBL10377573 0.81 NPC1 (0.38) ALDH1A1GFERSMN1; SMN2MAPTRAB9A
SCHEMBL9687896 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTGAARAB9A
SCHEMBL10572812 0.80 PARP1 (0.36) ALDH1A1SMN1; SMN2RAB9ANPC1TP53

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 7 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-0167901-A2 Active compounds LES LABORATOIRES BEECHAM S.A. (FR) 1986-01-15 EP claimed
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
US-4853391-A Pyrido[1,2-a]indoles and their use as cardiovascular LABORATOIRES SOBIO SA, 13-15-25 BOULEVARD DE 1'AMIRAL BRUIX 75782 PARIS, CEDEX 16, FRANCE 1989-08-01 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
EP-0167901-A2 Active compounds LES LABORATOIRES BEECHAM S.A. (FR) 1986-01-15 EP disclosed