SCHEMBL7523665

SCHEMBL7523665

Clc1cccc2sc(C3=CC4CCC(C3)N4)nc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
LMNA P02545 3/20 0.40
PDE10A Q9Y233 1/20 0.40
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PSMB8 P28062 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL3539509 0.72 CHRNB2 (0.44) CHRNB2CHRNA4CCNT1CDK9
SCHEMBL3539511 0.72 CHRNB2 (0.44) CHRNB2CHRNA4CCNT1CDK9
SCHEMBL2412726 0.68 CHRNB2 (0.47) CHRNB2CHRNA4CCNT1CDK9
SCHEMBL7519836 0.68 LMNA (0.45) LMNAPDE10AMAPTHPGDMEN1
SCHEMBL7965008 0.67 LMNA (0.44) LMNAPDE10AMAPTHPGDMEN1
SCHEMBL2135948 0.65 LMNA (0.56) LMNAPDE10AMAPTHPGDMEN1
SCHEMBL6214667 0.64 CHRNB2 (0.55) CHRNB2CHRNA4
SCHEMBL2881954 0.63 CHRNB2 (0.67) CHRNB2CHRNA4CCNT1CDK9
SCHEMBL12093045 0.63 CHRNB2 (0.67) CHRNB2CHRNA4CCNT1CDK9
SCHEMBL6780710 0.63 CCNT1 (0.42) CHRNB2CHRNA4MAPK1CCNT1CDK9

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-1242419-A1 AZABICYCLO 3.2.1]OCTANE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2001046187-A1 AZABICYCLO[3.2.1]OCTANE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed