SCHEMBL6818552

SCHEMBL6818552

CN1CCCC1c1ccc(C#Cc2ccc(C(=O)O)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.47
KDM4E B2RXH2 1/20 0.44
BLM P54132 1/20 0.44
ALOX15 P16050 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
SCHEMBL6818619 0.88 GRM5 (0.44) GRM5BLM
SCHEMBL6583010 0.82 KDM4E (0.48) KDM4EBLMALOX15
SCHEMBL6583004 0.82 KDM4E (0.48) KDM4EBLMALOX15
SCHEMBL6818776 0.81 CHRNB4 (0.59) KDM4EBLMALOX15
SCHEMBL17753546 0.79 CHRNB2 (0.64) KDM4EBLMALOX15
Benzoic Acid SCHEMBL31344150 0.77 KDM4E (0.53) KDM4EBLMALOX15
Benzoic Acid SCHEMBL28883890 0.77 KDM4E (0.53) KDM4EBLMALOX15
Benzoic Acid SCHEMBL27199890 0.77 KDM4E (0.53) KDM4EBLMALOX15
SCHEMBL6814485 0.76 HRH3 (0.46) KDM4EBLMALOX15
SCHEMBL6582951 0.75 ALDH1A1 (0.46)

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