SCHEMBL8787295

SCHEMBL8787295

Cn1c(=O)oc2cc(C(=O)CCCBr)ccc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.56
SIGMAR1 Q99720 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 3/20 0.45
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL10393870 0.92 ALDH1A1 (0.59) ALDH1A1HPGDSIGMAR1KDM4EMEN1
SCHEMBL9367537 0.88 ALDH1A1 (0.58) ALDH1A1HPGDSIGMAR1KDM4EMEN1
SCHEMBL8948117 0.86 ALDH1A1 (0.62) ALDH1A1HPGDSIGMAR1KDM4EMEN1
SCHEMBL14741026 0.85 ALDH1A1 (0.60) ALDH1A1HPGDSIGMAR1KDM4EMEN1
SCHEMBL9684618 0.84 ALDH1A1 (0.63) ALDH1A1HPGDSIGMAR1KDM4EMEN1
SCHEMBL8541265 0.84 ALDH1A1 (0.59) ALDH1A1HPGDSIGMAR1KDM4EMEN1
SCHEMBL23123120 0.83 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL10392904 0.82 ALDH1A1 (0.63) ALDH1A1HPGDSIGMAR1KDM4EMEN1
SCHEMBL23123168 0.82 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL9464085 0.80 ALDH1A1 (0.56) ALDH1A1HPGDSIGMAR1MEN1KMT2A

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-0478446-B1 Heterocyclic alkylamines, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1997-11-19 EP disclosed
US-5534517-A (Aryl(alkyl)carbonyl)-heterocyclic compounds and their use in the treatment of anxiety and depression ADIR ET COMPAGNIE (FR) 1996-07-09 US disclosed
US-5387586-A Analgesics, nervous system disorders ADIR ET COMPAGNIE (FR) 1995-02-07 US disclosed
EP-0613898-A1 Aryl or arylalkyl-carbonyl heterocyclic derivatives, processes for their preparation and compositions containing them ADIR ET COMPAGNIE (FR) 1994-09-07 EP disclosed
US-5296477-A Antidepressants ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
US-5268381-A Antidepressant or anxiolytic compound ADIR ET COMPAGNIE (FR) 1993-12-07 US disclosed
US-5196434-A Antidepressants, anxiolytic agents ADIR ET COMPAGNIE (FR) 1993-03-23 US disclosed
EP-0478446-A1 Heterocyclic alkylamines, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-04-01 EP disclosed
US-4778792-A Use of 7-acyl benzoxazinones and their derivatives in treating atheromatous disorders LABORATORIES NEGMA (FR) 1988-10-18 US disclosed