SCHEMBL8031463

SCHEMBL8031463

CCCCC(Oc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
MAPK1 P28482 2/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.48
FAAH O00519 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 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 0.95 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL8033220 0.93 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL8029944 0.90 SIGMAR1 (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL8035720 0.89 FAAH (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL8029589 0.88 TSHR (0.61) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
Hydrochloric Acid SCHEMBL8887455 0.87 TSHR (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL5059944 0.87 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL8020002 0.86 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL8035728 0.86 HRH3 (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL8020084 0.84 FAAH (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1

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 4 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-5691340-A CENTRAL NERVOUS SYSTEM DISORDERS, STROKES, CARDIOVASCULAR DISORDERS, ALZHEIMER*S DISEASE OR ANTIINFLAMMATORY AGENTS ADIR ET COMPAGNIE (FR) 1997-11-25 US 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