SCHEMBL8020104

SCHEMBL8020104

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 5/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
DUSP3 P51452 1/20 0.52
PTPN5 P54829 1/20 0.52
PTPN11 Q06124 1/20 0.52
MAPK1 P28482 2/20 0.51
GPR183 P32249 1/20 0.51
PKM P14618 1/20 0.51
FAAH O00519 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 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) LMNAALDH1A1HTTSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL8887455 0.91 TSHR (0.60) LMNAALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL8033255 0.90 SMN1; SMN2 (0.56) LMNAALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL8035741 0.89 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRHSD17B10MAPK1
SCHEMBL8910223 0.88 KMT2A (0.61) LMNAALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL16825861 0.84 TSHR (0.54) LMNANPSR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL8033220 0.82 ALDH1A1 (0.58) LMNAALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL8035824 0.82 SMN1; SMN2 (0.52) LMNAALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL8031495 0.81 MEN1 (0.56) LMNANPSR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL8020002 0.81 SMN1; SMN2 (0.53) LMNAALDH1A1SMN1; SMN2MAPK1PKM

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