SCHEMBL9688632

SCHEMBL9688632

O=C(NCCc1c2c(n3ccccc13)CCCC2)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
TAAR1 Q96RJ0 1/20 0.52
MAPT P10636 9/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
APAF1 O14727 1/20 0.50
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TMEM97 Q5BJF2 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
GAA P10253 1/20 0.43
CCR5 P51681 1/20 0.41

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
SCHEMBL9688783 0.90 ALDH1A1 (0.54) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9689143 0.86 ESRRG (0.42) RAB9ASMN1; SMN2NPC1TAAR1MAPT
Hydrochloric Acid SCHEMBL9688647 0.85 ESRRG (0.41) RAB9ASMN1; SMN2NPC1TAAR1MAPT
SCHEMBL9687673 0.83 NAMPT (0.46) SMN1; SMN2NPC1MAPTKMT2ATP53
SCHEMBL9689418 0.79 NPC1 (0.42) RAB9ASMN1; SMN2NPC1MAPTMEN1
Hydrochloric Acid SCHEMBL10644127 0.79 NAMPT (0.37) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL9688621 0.78 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2NPC1TAAR1MAPT
SCHEMBL10474647 0.76 MTNR1A (0.41) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL9687546 0.74 HPGD (0.51) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9688594 0.70 TP53 (0.45) MAPTMEN1KMT2ATP53ALDH1A1

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 5 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-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