Histamine

Histamine

SCHEMBL1668636

NCCc1c[nH]cn1.NCCc1c[nH]cn1.NCCc1c[nH]cn1

nearest known ligand 0.42

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Known targets — ChEMBL curated mechanism

HRH1

The experimentally established mechanism targets of Histamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 known ✓ P35367 4/20 0.40
HRH4 Q9H3N8 5/20 0.42
HRH3 Q9Y5N1 4/20 0.42
TSHR P16473 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MTOR P42345 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
HRH2 P25021 4/20 0.38
LMNA P02545 2/20 0.35
MIF P14174 1/20 0.35
APEX1 P27695 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.30

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
Histamine SCHEMBL2279 1.00
Histamine SCHEMBL5447892 1.00
Histamine SCHEMBL27340939 1.00
Histamine SCHEMBL7444650 1.00 HRH4 (0.42) HRH4HRH3TSHRCYP2C9CYP2C19
Histamine SCHEMBL289072 1.00 HRH4 (0.42) HRH4HRH3TSHRCYP2C9CYP2C19
Histamine SCHEMBL584026 0.98 TDP1 (0.44) HRH4HRH3TSHRCYP2C9CYP2C19
Histamine SCHEMBL991718 0.98
Histamine SCHEMBL931130 0.98
Histamine SCHEMBL21806473 0.98
Histamine SCHEMBL6453806 0.98

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
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed
US-4563454-A ASTHMA, RHINITIS, DERMATITIS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1986-01-07 US disclosed