SCHEMBL9687884

SCHEMBL9687884

O=C(NCCc1c2n(c3ccccc13)C(=O)CCC2)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
LMNA P02545 3/20 0.48
RECQL P46063 1/20 0.45
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL9688855 0.85 RAB9A (0.47) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL9687548 0.85 NPC1 (0.48) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL9688772 0.84 ALDH1A1 (0.54) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL10377827 0.84 NPC1 (0.48) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL9687727 0.83 NAMPT (0.46) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL9689157 0.83 NPC1 (0.51) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL10377571 0.82 NPC1 (0.43) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL10377756 0.82 NPC1 (0.48) ALDH1A1MAPTPOLBLMNARAB9A
SCHEMBL9687710 0.80 NPC1 (0.42) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL10377807 0.80 NPC1 (0.42) ALDH1A1HPGDSMN1; SMN2MAPTMEN1

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 12 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-0167901-A2 Active compounds LES LABORATOIRES BEECHAM S.A. (FR) 1986-01-15 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
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
US-4837240-A ANTIISCHEMIC, ANTHIHYPOXIC AGENTS BEECHAM-WUELFING GMBH & CO. KG (FR) 1989-06-06 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
EP-0252643-A1 Pyrido[1,2-a]indole derivatives, process for their preparation and pharmaceutical compounds containing them BEECHAM - WUELFING GmbH & Co. KG (DE) 1988-01-13 EP disclosed
EP-0167901-A2 Active compounds LES LABORATOIRES BEECHAM S.A. (FR) 1986-01-15 EP disclosed