SCHEMBL9687710

SCHEMBL9687710

CC(C)N(c1cccc(C(=O)NCCc2c3n(c4ccccc24)C(=O)CCC3)c1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
GFER P55789 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.37
NAMPT P43490 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 1/20 0.36
CREBBP Q92793 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL9687727 0.90 NAMPT (0.46) NPC1RAB9AALDH1A1MAPTGFER
SCHEMBL10572796 0.86 ALDH1A1 (0.43) NPC1RAB9AALDH1A1MAPTGFER
Hydrochloric Acid SCHEMBL10574395 0.85 ALDH1A1 (0.42) NPC1RAB9AALDH1A1MAPTGFER
SCHEMBL10377908 0.85 MTNR1A (0.42) NPC1RAB9AALDH1A1MAPTGFER
SCHEMBL9688855 0.84 RAB9A (0.47) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL9687548 0.83 NPC1 (0.48) NPC1RAB9AALDH1A1MAPTGFER
Hydrochloric Acid SCHEMBL10377827 0.83 NPC1 (0.48) NPC1RAB9AALDH1A1MAPTGFER
SCHEMBL10377756 0.82 NPC1 (0.48) NPC1RAB9AALDH1A1MAPTGAA
SCHEMBL9688571 0.82 NPC1 (0.52) NPC1RAB9AALDH1A1MAPTGFER
SCHEMBL9687497 0.82 NAMPT (0.43) ALDH1A1MAPTTSHRGAAHPGD

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 9 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-0167901-B1 ACTIVE COMPOUNDS LES LABORATOIRES BEECHAM S.A. (FR) 1990-04-04 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
EP-0167901-B1 ACTIVE COMPOUNDS LES LABORATOIRES BEECHAM S.A. (FR) 1990-04-04 EP 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