SCHEMBL8035728

SCHEMBL8035728

CCCCCCc1ccc(OC(CCC)C(=O)N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.50
PPARA Q07869 1/20 0.50
S1PR1 P21453 3/20 0.49
S1PR3 Q99500 3/20 0.49
S1PR4 O95977 2/20 0.49
S1PR5 Q9H228 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
FAAH O00519 2/20 0.48
PTPN1 P18031 1/20 0.47
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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 0.89 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1FAAHPKMMAPK1
SCHEMBL8033220 0.88 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1FAAHPKMMAPK1
SCHEMBL8020002 0.86 SMN1; SMN2 (0.53) PPARASMN1; SMN2ALDH1A1FAAHPKM
SCHEMBL8031463 0.86 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1FAAHPKMMAPK1
SCHEMBL8029944 0.86 SIGMAR1 (0.53) SMN1; SMN2ALDH1A1FAAHPKMMAPK1
SCHEMBL8035720 0.81 FAAH (0.51) HRH3PPARASMN1; SMN2ALDH1A1FAAH
SCHEMBL8020084 0.81 FAAH (0.54) SMN1; SMN2ALDH1A1FAAHMAPK1KDM4E
SCHEMBL8033363 0.80 HRH3 (0.49) HRH3S1PR1S1PR3S1PR4S1PR5
SCHEMBL8029589 0.79 TSHR (0.61) SMN1; SMN2ALDH1A1FAAHPKMMAPK1
SCHEMBL5134366 0.79 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A

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