Cyclohexane

Cyclohexane

SCHEMBL10673286

C1CCCCC1.CCN(CC)CC.ClC(Cl)Cl

nearest known ligand 0.31

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 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
Cyclohexane SCHEMBL11847430 0.94
Chloroform SCHEMBL378302 0.89 LMNA (0.33)
Chloroform SCHEMBL7930106 0.86 LMNA (0.31)
Cyclohexane SCHEMBL8471239 0.86 ADH1C (0.32) HRH3
Chloroform SCHEMBL83188 0.83 CYP2C9 (0.32)
Cyclohexane SCHEMBL7124692 0.83 HRH3 (0.32) HRH3
Fluoride SCHEMBL6463523 0.82 ADH1C (0.31) HRH3
Chloroform SCHEMBL2007196 0.80 CYP1A2 (0.31)
Chloroform SCHEMBL537028 0.80 ALDH1A1 (0.40)
Benzene SCHEMBL11096471 0.80 SIGMAR1 (0.38) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4737505-A Analgesic 4-substituted indoles ROUSSEL UCLAF (FR) 1988-04-12 US disclosed
US-4493836-A HYPOTENSIVE, ANTISEROTONINE AGENTS, DOPAMINE ANTAGONIST Uclaf, Roussel (FR) 1985-01-15 US disclosed
US-4435408-A Dopaminergic stimulating and antianoxic 4-substituted 2H-indole-2-ones ROUSSEL UCLAF (FR) 1984-03-06 US disclosed
US-4382942-A ANTIEMETICS, PARKINSON*S DISEASE ROUSSEL UCLAF (FR) 1983-05-10 US disclosed
US-4332808-A Dopaminergically stimulating 4-substituted indoles ROUSSEL UCLAF (FR) 1982-06-01 US disclosed
US-4313944-A Cycloheptindoles, compositions and use ROUSSEL UCLAF (FR) 1982-02-02 US disclosed
US-4259337-A ANTIDEPRESSANTS, ANOREXIGENIC AGENTS ANTIPARKINSONIAN ACTIVITY ROUSSEL UCLAF (FR) 1981-03-31 US disclosed
US-4224333-A Antihypertensive 2H-indol-2-ones ROUSSEL UCLAF (FR) 1980-09-23 US disclosed
US-4213989-A 3-TRIFLUOROMETHYL GROUP ON PHENYL ROUSSEL UCLAF (FR) 1980-07-22 US disclosed
US-4072685-A HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1978-02-07 US disclosed
US-4046901-A HYPOTENSIVE AGENTS ROUSSEL-UCLAF (FR) 1977-09-06 US disclosed
US-3979515-A THYMOANALEPTIC ACTIVITY ROUSSEL-UCLAF (FR) 1976-09-07 US disclosed
US-3957757-A THYMOANALEPTICS ROUSSEL-UCLAF (FR) 1976-05-18 US disclosed
US-3931151-A ANTIDEPRESSANT, NEURO-SEDATIVE ROUSSEL-UCLAF (FR) 1976-01-06 US disclosed