SCHEMBL7523536

SCHEMBL7523536

OC(CC=Cc1cccnc1)CC=Cc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.62
CHRNA4 P43681 2/20 0.62
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA7 P36544 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 3/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 2/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 1/20 0.51
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51

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
SCHEMBL7523532 1.00 CHRNB2 (0.62) CHRNB2CHRNA4CYP11B1CYP11B2KMT2A
SCHEMBL3017775 0.86 CHRNB2 (0.68) CHRNB2CHRNA4CYP11B1CYP11B2KMT2A
SCHEMBL617910 0.86 CHRNB2 (0.68) CHRNB2CHRNA4CYP11B1CYP11B2KMT2A
SCHEMBL3017778 0.86 CHRNB2 (0.68) CHRNB2CHRNA4CYP11B1CYP11B2KMT2A
SCHEMBL621130 0.86 CHRNB2 (0.68) CHRNB2CHRNA4CYP11B1CYP11B2KMT2A
SCHEMBL621129 0.86 CHRNB2 (0.68) CHRNB2CHRNA4CYP11B1CYP11B2KMT2A
SCHEMBL617909 0.86 CHRNB2 (0.68) CHRNB2CHRNA4CYP11B1CYP11B2KMT2A
SCHEMBL9519915 0.82 CHRNB2 (0.71) CHRNB2CHRNA4CYP11B1CYP11B2KMT2A
SCHEMBL7514670 0.82 CHRNB2 (0.71) CHRNB2CHRNA4CYP11B1CYP11B2KMT2A
SCHEMBL7514662 0.82 CHRNB2 (0.71) CHRNB2CHRNA4CYP11B1CYP11B2KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0872466-B1 Process for the synthesis of 1,7-diaryl or 1,7-heteroarylheptan-4-ols and synthetic intermediates FABBRICA ITALIANA SINTETICI SPA (IT) 2002-01-30 EP claimed
US-5973157-A Process for the synthesis of 1,7-diarly or heteroaryl-heptane-4-ols and new synthetic intermediates F.I.S. FABBRICA ILTALIANA SINTETICI S.P.A. (IT) 1999-10-26 US claimed
EP-0872466-A1 Process for the synthesis of 1,7-diaryl or 1,7-heteroarylheptan-4-ols and synthetic intermediates F.I.S. FABBRICA ITALIANA SINTETICI S.p.A. (IT) 1998-10-21 EP claimed
EP-0872466-B1 Process for the synthesis of 1,7-diaryl or 1,7-heteroarylheptan-4-ols and synthetic intermediates FABBRICA ITALIANA SINTETICI SPA (IT) 2002-01-30 EP disclosed
US-5973157-A Process for the synthesis of 1,7-diarly or heteroaryl-heptane-4-ols and new synthetic intermediates F.I.S. FABBRICA ILTALIANA SINTETICI S.P.A. (IT) 1999-10-26 US disclosed
EP-0872466-A1 Process for the synthesis of 1,7-diaryl or 1,7-heteroarylheptan-4-ols and synthetic intermediates F.I.S. FABBRICA ITALIANA SINTETICI S.p.A. (IT) 1998-10-21 EP disclosed