SCHEMBL8029944

SCHEMBL8029944

CCCCCC(Oc1ccc(OC)cc1)C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.53
FAAH O00519 2/20 0.52
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 2/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 2/20 0.48
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL8029869 0.93 ALDH1A1 (0.53) FAAHALDH1A1SMN1; SMN2PKMKDM4E
SCHEMBL8031463 0.90 ALDH1A1 (0.55) FAAHALDH1A1SMN1; SMN2PKMKDM4E
SCHEMBL5134366 0.86 ALDH1A1 (0.51) SIGMAR1ALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL8035728 0.86 HRH3 (0.50) FAAHALDH1A1SMN1; SMN2PKMKDM4E
SCHEMBL8033220 0.86 ALDH1A1 (0.58) FAAHALDH1A1SMN1; SMN2PKMKDM4E
SCHEMBL8035720 0.84 FAAH (0.51) SIGMAR1FAAHALDH1A1SMN1; SMN2PKM
SCHEMBL5059944 0.84 ALDH1A1 (0.52) SIGMAR1ALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL8020002 0.84 SMN1; SMN2 (0.53) SIGMAR1FAAHALDH1A1SMN1; SMN2PKM
SCHEMBL8029589 0.81 TSHR (0.61) FAAHALDH1A1SMN1; SMN2PKMKDM4E
Hydrochloric Acid SCHEMBL8887455 0.80 TSHR (0.60) FAAHALDH1A1SMN1; SMN2PKMKDM4E

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