SCHEMBL8031495

SCHEMBL8031495

CCC(Oc1cccc(C(C)C)c1)C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 3/20 0.50
HSD17B10 Q99714 1/20 0.50
FAAH O00519 3/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CHRM1 P11229 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL8029589 0.89 TSHR (0.61) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL8887455 0.88 TSHR (0.60) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL8035824 0.86 SMN1; SMN2 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL8033227 0.83 ALDH1A1 (0.59) KMT2AALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL8033255 0.82 SMN1; SMN2 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL8035741 0.81 ALDH1A1 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL8020104 0.81 LMNA (0.59) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL8910223 0.81 KMT2A (0.61) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL8035814 0.80 SIGMAR1 (0.49) MEN1KMT2AALDH1A1KDM4E
SCHEMBL5064012 0.80 ALDH1A1 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2TSHR

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