Cotinine

Cotinine

SCHEMBL5574865

CN1C(=O)CCC1c1cccnc1.CN1C(=O)CC[C@H]1c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 1.00
CYP3A4 P08684 1/20 1.00
THRB P10828 1/20 1.00
TSHR P16473 1/20 1.00
THPO P40225 1/20 1.00
MEN1 O00255 1/20 1.00
MAPK1 P28482 1/20 1.00
KMT2A Q03164 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
CHRNB2 P17787 5/20 0.55
CHRNA4 P43681 5/20 0.55
CHRNA7 P36544 4/20 0.55
ALDH1A1 P00352 3/20 0.55
CHRNB4 P30926 2/20 0.55
CHRNA3 P32297 2/20 0.55
CHRNA2 Q15822 2/20 0.55
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTR3E A5X5Y0 1/20 0.55
PSIP1 O75475 1/20 0.55

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
Cotinine SCHEMBL30478620 1.00 KDM4E (1.00) KDM4ECYP3A4THRBTSHRTHPO
Cotinine SCHEMBL29404962 1.00 KDM4E (1.00) KDM4ECYP3A4THRBTSHRTHPO
Cotinine SCHEMBL49061 1.00 KDM4E (1.00) KDM4ECYP3A4THRBTSHRTHPO
Cotinine SCHEMBL49060 1.00 KDM4E (1.00) KDM4ECYP3A4THRBTSHRTHPO
Cotinine SCHEMBL9067899 1.00 KDM4E (1.00) KDM4ECYP3A4THRBTSHRTHPO
Cotinine SCHEMBL29450216 1.00 KDM4E (1.00) KDM4ECYP3A4THRBTSHRTHPO
Cotinine SCHEMBL10899074 1.00 KDM4E (1.00) KDM4ECYP3A4THRBTSHRTHPO
Cotinine SCHEMBL1615810 0.98 KDM4E (0.97) KDM4ECYP3A4THRBTSHRTHPO
Cotinine SCHEMBL1615812 0.98 KDM4E (0.97) KDM4ECYP3A4THRBTSHRTHPO
Cotinine SCHEMBL4659033 0.98 KDM4E (0.97) KDM4ECYP3A4THRBTSHRTHPO

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-1857121-A2 Hapten-carrier conjugates for use in drug-abuse therapy and methods for preparation of same Xenova Research Limited (GB) 2007-11-21 EP disclosed
EP-1024834-A2 HAPTEN-CARRIER CONJUGATES FOR USE IN DRUG-ABUSE THERAPY AND METHODS FOR PREPARATION OF SAME IMMULOGIC PHARMACEUTICAL CORPORATION (US) 2000-08-09 EP disclosed
WO-1998014216-A9 HAPTEN-CARRIER CONJUGATES FOR USE IN DRUG-ABUSE THERAPY AND METHODS FOR PREPARATION OF SAME 1998-08-13 WO disclosed
WO-1998014216-A2 HAPTEN-CARRIER CONJUGATES FOR USE IN DRUG-ABUSE THERAPY AND METHODS FOR PREPARATION OF SAME IMMULOGIC PHARMACEUTICAL CORPORATION (US) 1998-04-09 WO disclosed