SCHEMBL7409054

SCHEMBL7409054

CN(C)C1CCc2[nH]c3c(CN4CCNCC4)cccc3c2C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CHRM3 P20309 2/20 0.35
HTR1F P30939 1/20 0.35
ACHE P22303 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR1A P08908 2/20 0.34
HTR7 P34969 2/20 0.34
GNAI3 P08754 1/20 0.34
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR6 P50406 3/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
XIAP P98170 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL7408264 0.90 HTR6 (0.36) LMNACHRM3HTR1FACHECHRM2
SCHEMBL7408867 0.88 CYP2A13 (0.39) LMNACHRM3HTR1FACHECHRM2
SCHEMBL7403774 0.86 DRD2 (0.42) LMNAHTR7DRD2
SCHEMBL7410521 0.82 HTR1F (0.41) LMNACHRM3HTR1FCHRM2CHRM1
SCHEMBL7407854 0.82 CHRM3 (0.44) CHRM3HTR1FCHRM2CHRM1HTR1A
SCHEMBL7412099 0.81 CHRM3 (0.40) CHRM3HTR1FCHRM2CHRM1HTR1A
Hydrochloric Acid SCHEMBL7407442 0.81 HTR1F (0.41) LMNACHRM3HTR1FCHRM2CHRM1
SCHEMBL7408387 0.79 HTR6 (0.40) LMNAACHEHTR1AHTR7DRD2
SCHEMBL7411548 0.77 HRH3 (0.40) CHRM3HTR1FPARP1
SCHEMBL7408892 0.75 CHRM3 (0.43) CHRM3HTR1FCHRM2CHRM1HTR1A

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