Diphenhydramine

Diphenhydramine

SCHEMBL8575800

CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O.O=C(O)c1ccccc1C(=O)O

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HRH1

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 known ✓ P35367 2/20 0.88
ALDH1A1 P00352 4/20 0.88
LMNA P02545 3/20 0.88
CYP1A2 P05177 3/20 0.88
CHRM2 P08172 2/20 0.88
CHRM4 P08173 2/20 0.88
CHRM5 P08912 2/20 0.88
ADRA2A P08913 2/20 0.88
CYP2D6 P10635 2/20 0.88
CHRM1 P11229 2/20 0.88
ADRA2B P18089 2/20 0.88
CHRM3 P20309 2/20 0.88
SLC6A2 P23975 2/20 0.88
HTR2A P28223 2/20 0.88
HTR2C P28335 2/20 0.88
HTR2B P41595 2/20 0.88
SLC6A3 Q01959 2/20 0.88
HSD17B10 Q99714 2/20 0.88
ADRA1D P25100 1/20 0.88
SIGMAR1 Q99720 1/20 0.88

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
Diphenhydramine SCHEMBL5670807 0.94 LMNA (1.00) ALDH1A1LMNACYP1A2CHRM2CHRM4
Diphenhydramine SCHEMBL1896940 0.94 LMNA (1.00) ALDH1A1LMNACYP1A2CHRM2CHRM4
Diphenhydramine SCHEMBL5128 0.94 LMNA (1.00) ALDH1A1LMNACYP1A2CHRM2CHRM4
Diphenhydramine SCHEMBL5085363 0.93 ALDH1A1 (0.91) ALDH1A1LMNACYP1A2CHRM2CHRM4
Diphenhydramine SCHEMBL7933565 0.93 LMNA (0.98) ALDH1A1LMNACYP1A2CHRM2CHRM4
Diphenhydramine SCHEMBL10385770 0.93 LMNA (0.98) ALDH1A1LMNACYP1A2CHRM2CHRM4
Diphenhydramine SCHEMBL19259450 0.91 LMNA (0.88) ALDH1A1LMNACYP1A2CHRM2CHRM4
Diphenhydramine SCHEMBL28213087 0.91 LMNA (0.94) ALDH1A1LMNACYP1A2CHRM2CHRM4
Diphenhydramine SCHEMBL8846483 0.90 LMNA (0.89) ALDH1A1LMNACYP1A2CHRM2CHRM4
Diphenhydramine SCHEMBL5088309 0.89 ALDH1A1 (0.83) ALDH1A1LMNACYP1A2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5708058-A Aqueous coating composition based on low-solvent modified epoxy resin dispersions VIANOVA RESINS GMBH (DE) 1998-01-13 US disclosed