SCHEMBL8031455

SCHEMBL8031455

CCC(CN1CCN(Cc2ccccc2)CC1)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.53
KDM4E B2RXH2 3/20 0.50
MC4R P32245 1/20 0.50
NPC1 O15118 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 2/20 0.49
MEN1 O00255 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
MMP1 P03956 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
ADAM17 P78536 1/20 0.48
RAB9A P51151 2/20 0.46
DRD4 P21917 1/20 0.45
PKM P14618 1/20 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
SCHEMBL8020085 0.92 LMNA (0.59) SIGMAR1KDM4EMC4RNPC1KMT2A
SCHEMBL8029654 0.91 IGF1R (0.55) SIGMAR1KDM4EMC4RNPC1KMT2A
SCHEMBL5752956 0.91 KDM4E (0.54) SIGMAR1KDM4ENPC1KMT2AALDH1A1
SCHEMBL8029639 0.89 SIGMAR1 (0.50) SIGMAR1KDM4EMC4RNPC1KMT2A
SCHEMBL8911301 0.88 MEN1 (0.50) SIGMAR1KDM4EMC4RNPC1KMT2A
SCHEMBL8029891 0.87 SIGMAR1 (0.50) SIGMAR1KDM4EMC4RNPC1KMT2A
SCHEMBL8035814 0.86 SIGMAR1 (0.49) SIGMAR1KDM4EKMT2AALDH1A1MEN1
SCHEMBL8031421 0.86 SIGMAR1 (0.48) SIGMAR1KDM4EMC4RNPC1KMT2A
SCHEMBL8033313 0.84 KDM4E (0.58) SIGMAR1KDM4EKMT2AALDH1A1MEN1
SCHEMBL8035801 0.84 NPC1 (0.46) SIGMAR1KDM4EMC4RNPC1KMT2A

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