SCHEMBL7974377

SCHEMBL7974377

CCCCCCNCCCc1c[nH]cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.44
HRH3 Q9Y5N1 6/20 0.44
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
S1PR2 O95136 7/20 0.36
S1PR1 P21453 7/20 0.36
S1PR3 Q99500 7/20 0.36
S1PR4 O95977 6/20 0.36
KCNH2 Q12809 1/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
S1PR5 Q9H228 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL18871373 1.00 HRH4 (0.44) HRH4HRH3ALDH1A1TSHRSIGMAR1
SCHEMBL18402529 0.97 HRH4 (0.48) HRH4HRH3ALDH1A1TSHRSIGMAR1
SCHEMBL859796 0.92 SIGMAR1 (0.45) HRH4HRH3ALDH1A1TSHRSIGMAR1
SCHEMBL18402586 0.92 HRH4 (0.50) HRH4HRH3ALDH1A1TSHRSIGMAR1
SCHEMBL20834976 0.90 HRH4 (0.44) HRH4HRH3ALDH1A1TSHRSIGMAR1
SCHEMBL20835000 0.89 HRH4 (0.50) HRH4HRH3ALDH1A1TSHRSIGMAR1
SCHEMBL2696234 0.86 KCNH2 (0.47) HRH4HRH3ALDH1A1KCNH2LMNA
SCHEMBL674217 0.86 KCNH2 (0.47) HRH4HRH3ALDH1A1KCNH2LMNA
SCHEMBL2696007 0.86 KCNH2 (0.47) HRH4HRH3ALDH1A1KCNH2LMNA
SCHEMBL2697514 0.86 KCNH2 (0.47) HRH4HRH3ALDH1A1KCNH2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9549983-B2 Amine cationic lipids and uses thereof DICERNA PHARMACEUTICALS, INC. (US) 2017-01-24 US disclosed
US-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US disclosed
US-5559113-A ANTAGONISTS TO HISTAMINE H3 RECEPTORS, SEDATIVES, ANTICONVULSANTS, ANTIULCER AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE 1996-09-24 US disclosed