SCHEMBL7407453

SCHEMBL7407453

Cc1ccc2c3c([nH]c2c1)CCC(N(C)C)C3

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.48
HTR1D P28221 4/20 0.46
HTR1B P28222 4/20 0.46
SLC6A4 P31645 1/20 0.41
NR2E1 Q9Y466 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
HTR6 P50406 3/20 0.38
CFTR P13569 1/20 0.38
CHRM3 P20309 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL7403681 0.89 HTR1F (0.56) HTR1FHTR1DHTR1BSLC6A4L3MBTL1
SCHEMBL7408494 0.85 HTR1F (0.58) HTR1FHTR1DHTR1BSLC6A4NR2E1
SCHEMBL7407846 0.85 DRD2 (0.50) HTR1FHTR1DHTR1BNR2E1RXFP1
Hydrochloric Acid SCHEMBL7409354 0.84 HTR1F (0.49) HTR1FHTR1DHTR1BNR2E1RXFP1
SCHEMBL7404381 0.83 HTR1F (0.50) HTR1FHTR1DHTR1BSLC6A4NR2E1
SCHEMBL7407989 0.83 HTR1D (0.55) HTR1FHTR1DHTR1BSLC6A4HTR6
Hydrochloric Acid SCHEMBL7405179 0.82 HTR1D (0.54) HTR1FHTR1DHTR1BSLC6A4HTR6
Cyclindole SCHEMBL122715 0.81 NR2E1 (0.61) HTR1FHTR1DHTR1BNR2E1HTR6
SCHEMBL7415699 0.81 KMT2A (0.58) HTR1FHTR1DHTR1BL3MBTL1
Cyclindole SCHEMBL7412314 0.80 NR2E1 (0.60) HTR1FHTR1DHTR1BSLC6A4NR2E1

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