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Cyclohexane

Cyclohexane

SCHEMBL3380419

C1CCCCC1.CN(CC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1)C(=O)O

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.57
▸ HRH1 P35367 2/20 0.42
▸ CCR3 P51677 2/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ PRKX P51817 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MLNR O43193 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
Cyclopropane SCHEMBL3413689 1.00 HRH3 (0.57) HRH3HRH1CCR3KCNH2KDM4E
SCHEMBL3381173 1.00 HRH3 (0.57) HRH3HRH1CCR3KCNH2KDM4E
Cyclopentane SCHEMBL3381172 1.00 HRH3 (0.57) HRH3HRH1CCR3KCNH2KDM4E
SCHEMBL3377707 0.95 HRH3 (0.55) HRH3HRH1CCR3KCNH2POLB
SCHEMBL3375063 0.91 HRH3 (0.70) HRH3HRH1CCR3KCNH2KDM4E
SCHEMBL3377768 0.89 HRH3 (0.56) HRH3HRH1CCR3KCNH2KDM4E
SCHEMBL3376562 0.89 HRH3 (0.56) HRH3HRH1CCR3KCNH2KDM4E
SCHEMBL3375240 0.89 HRH3 (0.54) HRH3HRH1CCR3KCNH2S1PR1
SCHEMBL3375245 0.88 HRH3 (0.56) HRH3HRH1CCR3KCNH2KDM4E
SCHEMBL3377148 0.87 HRH3 (0.55) HRH3HRH1CCR3KCNH2KDM4E

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
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 — — EP claimed