SCHEMBL6724813

SCHEMBL6724813

CN1CCC(Oc2ccc3[nH]cc(C(=O)Nc4ccccn4)c3n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.55
HTR1F P30939 16/20 0.55
HTR1D P28221 12/20 0.55
HTR1B P28222 11/20 0.55
GRM5 P41594 3/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR1E P28566 1/20 0.43
HTR4 Q13639 1/20 0.43
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43

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
SCHEMBL6726471 0.95 HTR1A (0.52) HTR1AHTR1FHTR1DHTR1BGRM5
SCHEMBL6726534 0.85 HTR1F (0.49) HTR1AHTR1FHTR1DHTR1B
SCHEMBL6724792 0.84 HTR1A (0.49) HTR1AHTR1FHTR1DHTR1BGRM5
SCHEMBL6726991 0.84 HTR1A (0.48) HTR1AHTR1FHTR1DHTR1BHTR2A
SCHEMBL6671344 0.83 NPC1 (0.54) HTR1AHTR1FHTR1DHTR1BGRM5
SCHEMBL6722238 0.82 HTR1A (0.47) HTR1AHTR1FHTR1DHTR1BGRM5
SCHEMBL6722139 0.81 RXFP1 (0.54) HTR1AHTR1FHTR1DHTR1BGRM5
SCHEMBL6722245 0.81 HTR1F (0.51) HTR1AHTR1FHTR1DHTR1BHTR2A
SCHEMBL6724701 0.80 MET (0.48) HTR1AHTR1FHTR1DHTR1BPIM1
SCHEMBL6734018 0.80 MET (0.51) HTR1AHTR1FHTR1DHTR1BPIM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US claimed
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US disclosed