SCHEMBL7412311

SCHEMBL7412311

CN(C)C1CCc2c(c3ccccc3n2C)C1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 14/20 0.61
▸ HTR2A P28223 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TBXA2R P21731 1/20 0.44
▸ PTGDR Q13258 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.44

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
SCHEMBL7406719 0.83 HTR2A (0.53) HTR6HTR2AHTR2CCYP1A2CYP2D6
SCHEMBL7410597 0.81 HTR6 (0.57) HTR6HTR2AHTR2CKDM4ETBXA2R
SCHEMBL7412035 0.81 HTR6 (0.55) HTR6HTR2AHTR2CTBXA2RPTGDR
SCHEMBL7410827 0.81 PTGDR2 (0.54) HTR6HTR2AHTR2CTBXA2RPTGDR
SCHEMBL14492880 0.80 HTR2A (0.47) HTR6HTR2AHTR2CCYP1A2CYP2D6
SCHEMBL11421176 0.80 DRD2 (0.50) HTR6
SCHEMBL16559076 0.80 HTR2A (0.53) HTR6HTR2AHTR2CCYP1A2CYP2D6
SCHEMBL16559077 0.80 HTR2A (0.53) HTR6HTR2AHTR2CCYP1A2CYP2D6
SCHEMBL6529682 0.80 HTR2A (0.53) HTR6HTR2AHTR2CCYP1A2CYP2D6
SCHEMBL7409349 0.80 HTR6 (0.56) HTR6HTR2AHTR2CTBXA2RPTGDR

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 5 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 claimed
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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