SCHEMBL7403774

SCHEMBL7403774

CN(C)C1CCc2[nH]c3c(CN4CCN(c5ccccc5)CC4)cccc3c2C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.42
DRD3 P35462 9/20 0.42
DRD4 P21917 5/20 0.42
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
HTR7 P34969 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7408867 0.87 CYP2A13 (0.39) DRD2LMNAKDM4EALDH1A1
SCHEMBL7408264 0.87 HTR6 (0.36) DRD2LMNAKDM4EALDH1A1HTT
SCHEMBL7409054 0.86 LMNA (0.39) DRD2LMNAHTR7
SCHEMBL7408387 0.81 HTR6 (0.40) DRD2DRD3DRD4LMNAKDM4E
SCHEMBL7412571 0.79 ALDH1A1 (0.46) LMNAKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL7407854 0.79 CHRM3 (0.44) DRD2DRD3DRD4HTR7
SCHEMBL7410521 0.79 HTR1F (0.41) LMNAALDH1A1HTR7
SCHEMBL7412099 0.78 CHRM3 (0.40) DRD2DRD3DRD4HTR7
Hydrochloric Acid SCHEMBL7407442 0.78 HTR1F (0.41) LMNAALDH1A1HTR7
SCHEMBL7412016 0.72 HTR1F (0.40) NPSR1

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