SCHEMBL7409136

SCHEMBL7409136

Cc1cc(C)c2c3c(n(C)c2c1)CCC(N(C)C)C3

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 15/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ DRD2 P14416 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34

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
Hydrochloric Acid SCHEMBL7411937 0.99 HTR6 (0.37) HTR6CHRM3DRD2DRD1CHRM2
SCHEMBL7407559 0.81 CHRM3 (0.47) HTR6CHRM3DRD2CHRM2CHRM1
Hydrochloric Acid SCHEMBL7408916 0.80 CHRM3 (0.46) HTR6CHRM3DRD2CHRM2CHRM1
SCHEMBL11423799 0.71 CHRM3 (0.56) HTR6CHRM3DRD2DRD1CHRM2
SCHEMBL11421176 0.71 DRD2 (0.50) HTR6CHRM3DRD2DRD1
Hydrochloric Acid SCHEMBL7450769 0.70 CHRM3 (0.55) HTR6CHRM3DRD2DRD1CHRM2
Hydrochloric Acid SCHEMBL7407796 0.70 DRD2 (0.49) HTR6CHRM3DRD2
SCHEMBL7412311 0.70 HTR6 (0.61) HTR6
SCHEMBL4790752 0.70 MCHR1 (0.41) —
SCHEMBL7413544 0.69 HTR1F (0.41) CHRM3DRD2DRD1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 — — US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 — — US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 — — US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 — — US disclosed
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