SCHEMBL9687552

SCHEMBL9687552

Nc1cccc(C(=O)NCCc2c3c(n4ccccc24)C(=O)CCC3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
PARP1 P09874 7/20 0.37
GFER P55789 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 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
Hydrochloric Acid SCHEMBL10379132 0.99 NPC1 (0.42) NPC1RAB9APRMT5WDR77PARP1
SCHEMBL9688578 0.89 NPC1 (0.46) NPC1RAB9APRMT5PARP1GFER
SCHEMBL9689169 0.88 NPC1 (0.45) NPC1RAB9APARP1GFERALDH1A1
SCHEMBL9687734 0.86 NAMPT (0.45) NPC1RAB9AGFERALDH1A1MAPT
SCHEMBL10377573 0.85 NPC1 (0.38) NPC1RAB9APARP1GFERALDH1A1
SCHEMBL9687896 0.85 ALDH1A1 (0.52) RAB9AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL9689418 0.85 NPC1 (0.42) NPC1RAB9APRMT5WDR77PARP1
Hydrochloric Acid SCHEMBL9688104 0.85 NPC1 (0.42) NPC1RAB9APRMT5WDR77PARP1
SCHEMBL9687719 0.84 ALDH1A1 (0.39) NPC1RAB9APARP1GFERALDH1A1
SCHEMBL10571644 0.83 EPHX2 (0.39) NPC1RAB9APARP1ALDH1A1MAPT

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