SCHEMBL11380906

SCHEMBL11380906

CCCCN1CCCN(NC(=O)c2cc(Cl)c(N)cc2OC)CC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 14/20 0.64
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP2D6 P10635 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
ACHE P22303 1/20 0.58
CYP3A4 P08684 1/20 0.57
HTR3A P46098 1/20 0.57

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
SCHEMBL11376509 0.96 HTR4 (0.67) HTR4MEN1ALDH1A1CYP2D6KMT2A
Bromomethane SCHEMBL11378543 0.94 HTR4 (0.65) HTR4MEN1ALDH1A1CYP2D6KMT2A
SCHEMBL11387050 0.93 HTR4 (0.72) HTR4MEN1ALDH1A1CYP2D6KMT2A
SCHEMBL11382294 0.90 HTR4 (0.62) HTR4
SCHEMBL11376674 0.85 HTR4 (0.69) HTR4
SCHEMBL11380863 0.84 HTR4 (0.57) HTR4HTR3A
SCHEMBL11538644 0.83 HTR4 (0.66) HTR4CYP3A4HTR3A
SCHEMBL11376663 0.83 HTR4 (0.59) HTR4
SCHEMBL11379701 0.82 HTR4 (0.58) HTR4MEN1CYP2D6KMT2ACYP2C9
Bromomethane SCHEMBL11381329 0.80 HTR4 (0.56) HTR4KMT2AHTR3A

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-4267175-A FOR USE AS AN ANTIEMETIC, AND TREATMENT FOR GASTROINTESTINAL DISORDERS BEECHAM GROUP LIMITED (GB) 1981-05-12 US disclosed