SCHEMBL8020085

SCHEMBL8020085

CCC(CN1CCN(Cc2ccccc2)CC1)Oc1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
POLB P06746 1/20 0.59
SIGMAR1 Q99720 3/20 0.51
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
TP53 P04637 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
ADAM17 P78536 1/20 0.47
MC4R P32245 1/20 0.45
RAB9A P51151 1/20 0.45
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44

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
SCHEMBL8031455 0.92 SIGMAR1 (0.53) LMNAPOLBSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL8029654 0.88 IGF1R (0.55) LMNASIGMAR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5752956 0.88 KDM4E (0.54) SIGMAR1ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL8911301 0.86 MEN1 (0.50) LMNASIGMAR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8029639 0.81 SIGMAR1 (0.50) LMNAPOLBSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL8029891 0.80 SIGMAR1 (0.50) LMNASIGMAR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8029642 0.80 SIGMAR1 (0.54) LMNASIGMAR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8035814 0.79 SIGMAR1 (0.49) SIGMAR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8031421 0.79 SIGMAR1 (0.48) LMNAPOLBSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL7138408 0.78 LTA4H (0.71) MMP1MMP9MMP13ADAM17RAB9A

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 2 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