SCHEMBL8020002

SCHEMBL8020002

CCCC(Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 1/20 0.53
PPARG P37231 4/20 0.50
PPARA Q07869 4/20 0.50
FAAH O00519 4/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
DRD4 P21917 1/20 0.48
KDM4E B2RXH2 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL8033220 0.93 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1FAAHPKMMAPK1
SCHEMBL8020084 0.89 FAAH (0.54) SMN1; SMN2ALDH1A1FAAHMAPK1MEN1
SCHEMBL8035728 0.86 HRH3 (0.50) SMN1; SMN2ALDH1A1PPARAFAAHPKM
SCHEMBL8031463 0.86 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1FAAHPKMMAPK1
SCHEMBL8029869 0.84 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1FAAHPKMMAPK1
SCHEMBL8029944 0.84 SIGMAR1 (0.53) SMN1; SMN2ALDH1A1FAAHPKMMAPK1
SCHEMBL8020109 0.84 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1FAAHPKMMAPK1
SCHEMBL8029589 0.83 TSHR (0.61) SMN1; SMN2ALDH1A1FAAHPKMMAPK1
SCHEMBL8035720 0.83 FAAH (0.51) SMN1; SMN2ALDH1A1PPARGPPARAFAAH
Hydrochloric Acid SCHEMBL8887455 0.82 TSHR (0.60) SMN1; SMN2ALDH1A1FAAHPKMMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702010-B1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-03-15 EP disclosed
US-5668138-A AFFINITY FOR SIGMA RECEPTORS, CENTRAL NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1997-09-16 US disclosed
EP-0702010-A1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-03-20 EP disclosed