SCHEMBL6818776

SCHEMBL6818776

CN1CCCC1c1cncc(C#Cc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 7/20 0.59
CHRNA3 P32297 7/20 0.59
CHRNB2 P17787 6/20 0.59
CHRNA1 P02708 4/20 0.59
CHRNA4 P43681 4/20 0.59
CHRNB1 P11230 4/20 0.59
CHRNA2 Q15822 3/20 0.59
CHRNG P07510 2/20 0.59
CHRND Q07001 2/20 0.59
KDM4E B2RXH2 1/20 0.47
BLM P54132 1/20 0.47
ALOX15 P16050 1/20 0.47
CHRNB3 Q05901 3/20 0.47
ALDH1A1 P00352 2/20 0.45
CHRNA7 P36544 2/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR3E A5X5Y0 1/20 0.45
PSIP1 O75475 1/20 0.45
TRPA1 O75762 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
SCHEMBL6814245 0.88 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA1CHRNA4
SCHEMBL6964032 0.86 CHRNB4 (0.67) CHRNB4CHRNA3CHRNB2CHRNA1CHRNA4
Fumaric Acid SCHEMBL6960624 0.84 CHRNB4 (0.57) CHRNB4CHRNA3CHRNB2CHRNA1CHRNA4
Fumaric Acid SCHEMBL6960621 0.84 CHRNB4 (0.57) CHRNB4CHRNA3CHRNB2CHRNA1CHRNA4
SCHEMBL6813669 0.83 CHRNA3 (0.64) CHRNB4CHRNA3CHRNB2CHRNA1CHRNA4
SCHEMBL6818552 0.81 GRM5 (0.47) KDM4EBLMALOX15
SCHEMBL6818886 0.80 CHRNB4 (0.47) CHRNB4CHRNA3CHRNB2CHRNA1CHRNA4
Fumaric Acid SCHEMBL6961573 0.80 CHRNB4 (0.59) CHRNB4CHRNA3CHRNB2CHRNA1CHRNA4
Benzoic Acid SCHEMBL31344223 0.79 BLM (0.52) CHRNB4CHRNA3CHRNB2CHRNA1CHRNA4
Benzoic Acid SCHEMBL27199882 0.79 BLM (0.52) CHRNB4CHRNA3CHRNB2CHRNA1CHRNA4

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-1079860-B1 NICOTINE IMMUNOGEN INDEPENDENT PHARMACEUTICA AB (SE) 2004-10-27 EP disclosed
US-6656469-B1 Treatment of nicotine dependence from tobacco products INDEPENDENT PHARMACEUTICA AB (SE) 2003-12-02 US disclosed
EP-1079860-A1 NICOTINE IMMUNOGEN Independent pharmaceutica AB (SE) 2001-03-07 EP disclosed
WO-1999061054-A1 NICOTINE IMMUNOGEN INDEPENDENT PHARMACEUTICA AB (SE) 1999-12-02 WO disclosed