SCHEMBL7408387

SCHEMBL7408387

COc1ccc(N2CCN(Cc3cccc4c5c([nH]c34)CCC(N(C)C)C5)CC2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.40
KDM4E B2RXH2 4/20 0.38
TSHR P16473 2/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR7 P34969 4/20 0.37
HTR1A P08908 2/20 0.37
HTR2A P28223 1/20 0.37
CFTR P13569 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL7408368 0.82 MAPT (0.41) HTR6TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL7403774 0.81 DRD2 (0.42) KDM4EHTR7LMNAALDH1A1SMN1; SMN2
SCHEMBL7408264 0.80 HTR6 (0.36) HTR6KDM4EHTR7HTR1ALMNA
SCHEMBL7409054 0.79 LMNA (0.39) HTR6HTR7HTR1ALMNADRD2
SCHEMBL7408867 0.78 CYP2A13 (0.39) KDM4ELMNAALDH1A1MAPTTDP1
SCHEMBL7409296 0.74 HTR6 (0.41) HTR6HTR2AMAPT
SCHEMBL7410521 0.72 HTR1F (0.41) HTR6TSHRHTR7HTR1ALMNA
SCHEMBL7407854 0.72 CHRM3 (0.44) HTR7HTR1ADRD2DRD4DRD3
SCHEMBL7413012 0.72 TAAR1 (0.50) HTR6HTR7HTR1A
SCHEMBL7412099 0.71 CHRM3 (0.40) HTR7HTR1ADRD2DRD4DRD3

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