Histamine

Histamine

SCHEMBL9702159

CCC(=O)O.NCCc1c[nH]cn1

nearest known ligand 0.36

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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 11)

geneUniProtsupporting neighboursconfidence
HRH1 known ✓ P35367 3/20 0.33
HRH4 Q9H3N8 3/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
MTOR P42345 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
FFAR3 O14843 1/20 0.33
HRH2 P25021 1/20 0.33
GABRR1 P24046 1/20 0.31

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 SCHEMBL5840054 0.90 HRH4 (0.38) HRH4HRH3CYP2C9TSHRCYP2C19
Histamine SCHEMBL1782847 0.90 HRH4 (0.36) HRH4HRH3CYP2C9TSHRCYP2C19
Histamine SCHEMBL8510036 0.89 FFAR3 (0.39) HRH4HRH3CYP2C9TSHRCYP2C19
Histamine SCHEMBL5321413 0.88 LMNA (0.33) HRH4HRH3CYP2C9TSHRCYP2C19
Histamine SCHEMBL1680140 0.88 LMNA (0.33) HRH4HRH3CYP2C9TSHRCYP2C19
Histamine SCHEMBL4234179 0.88 HRH4 (0.39) HRH4HRH3CYP2C9TSHRCYP2C19
Histamine SCHEMBL8887482 0.86 HRH4 (0.34) HRH4HRH3CYP2C9TSHRCYP2C19
Histamine SCHEMBL10424806 0.86 HRH4 (0.40) HRH4HRH3CYP2C9TSHRCYP2C19
Histamine SCHEMBL2825791 0.86 HRH4 (0.33) HRH4HRH3CYP2C9TSHRCYP2C19
Histamine SCHEMBL28875895 0.86 HRH4 (0.42) HRH4HRH3CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844348-B1 HAIR CLEANSING AND CONDITIONING COMPOSITION OREAL (FR) 2018-09-05 EP disclosed
EP-2844348-A1 HAIR CLEANSING AND CONDITIONING COMPOSITION L'Oréal (FR) 2015-03-11 EP disclosed
US-8865147-B2 Hair cleansing and conditioning composition L'OREAL (FR) 2014-10-21 US disclosed
WO-2013165799-A1 HAIR CLEANSING AND CONDITIONING COMPOSITION L'OREAL (FR) 2013-11-07 WO disclosed
US-20130284198-A1 Hair Cleansing and Conditioning Composition L'OREAL S.A. (FR) 2013-10-31 US disclosed
US-5112738-A Detection of histamine release MILES INC. (US) 1992-05-12 US disclosed
EP-0208953-B1 HISTAMINE DERIVATIVES, IMMUNOGEN CONJUGATES AND ANTIBODIES RAISED THERETO MILES INC. (US) 1990-04-25 EP disclosed
EP-0208953-A1 Histamine derivatives, immunogen conjugates and antibodies raised thereto MILES INC. (US) 1987-01-21 EP disclosed