SCHEMBL5097358

SCHEMBL5097358

[CH2]CCOc1ccc2c(c1)CCN(CC)C2

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.69
▸ ACACB O00763 2/20 0.46
▸ MOGAT2 Q3SYC2 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ ABCB1 P08183 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL14287689 0.83 HRH3 (0.68) HRH3ACACBKDM4E
SCHEMBL5093660 0.83 HRH3 (0.88) HRH3
SCHEMBL5100209 0.82 HRH3 (1.00) HRH3
SCHEMBL6369681 0.81 HRH3 (0.61) HRH3KDM4E
Hydrochloric Acid SCHEMBL5093907 0.81 HRH3 (0.98) HRH3
SCHEMBL6070938 0.76 HRH3 (1.00) HRH3
SCHEMBL14287571 0.76 HRH3 (1.00) HRH3
Hydrochloric Acid SCHEMBL5100243 0.76 HRH3 (0.98) HRH3
SCHEMBL14287597 0.76 HRH3 (0.93) HRH3
SCHEMBL14287732 0.75 HRH3 (0.71) HRH3

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-7314937-B2 Non-imidazole aryl alkylamines compounds as histamine H3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2008-01-01 — — US disclosed
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