SCHEMBL8035741

SCHEMBL8035741

CCC(Oc1ccc(F)cc1)C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
FAAH O00519 2/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL8029589 0.92 TSHR (0.61) ALDH1A1SMN1; SMN2TSHRHSD17B10PKM
Hydrochloric Acid SCHEMBL8887455 0.91 TSHR (0.60) ALDH1A1SMN1; SMN2TSHRHSD17B10PKM
SCHEMBL8033255 0.90 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2TSHRHSD17B10PKM
SCHEMBL8020104 0.89 LMNA (0.59) ALDH1A1SMN1; SMN2TSHRHSD17B10PKM
SCHEMBL8910223 0.88 KMT2A (0.61) ALDH1A1SMN1; SMN2TSHRHSD17B10PKM
SCHEMBL8033220 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TSHRHSD17B10PKM
SCHEMBL8035824 0.82 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2TSHRHSD17B10PKM
SCHEMBL8033227 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRHSD17B10FAAH
SCHEMBL8033345 0.81 PPARG (0.48) ALDH1A1SMN1; SMN2FAAHPPARGMEN1
SCHEMBL8031495 0.81 MEN1 (0.56) ALDH1A1SMN1; SMN2TSHRHSD17B10MAPK1

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