SCHEMBL8176002

SCHEMBL8176002

CC(C(=O)O)C1CCN(CCC=C2c3ccccc3Cc3ccccc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.47
SIGMAR1 Q99720 1/20 0.46
HRH1 P35367 7/20 0.44
HTR2A P28223 1/20 0.44
PRCP P42785 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 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
SCHEMBL7605937 0.80 HRH1 (0.45) SIGMAR1HRH1
SCHEMBL7783140 0.80 CHRM1 (0.49) CHRM1SIGMAR1HRH1
Hydrochloric Acid SCHEMBL8191059 0.79 HRH1 (0.44) SIGMAR1HRH1
SCHEMBL8185506 0.76 HRH1 (0.44) CHRM1SIGMAR1HRH1ADRA1A
SCHEMBL7782315 0.76 CHRM1 (0.47) CHRM1SIGMAR1HRH1
SCHEMBL5501785 0.75 HRH1 (0.48) CHRM1SIGMAR1HRH1HTR2AADRA1D
Hydrochloric Acid SCHEMBL6969176 0.74 HRH1 (0.48) CHRM1SIGMAR1HRH1HTR2AADRA1D
SCHEMBL7609166 0.74 HRH1 (0.48) CHRM1SIGMAR1HRH1
SCHEMBL20678554 0.74 SIGMAR1 (0.65) CHRM1SIGMAR1HRH1HTR2AADRA1A
Hydrochloric Acid SCHEMBL8182026 0.73 HRH1 (0.47) CHRM1SIGMAR1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6066632-A ANALGESICS; ANTIINFLAMMATORY AGENTS NOVO NORDISK A/S (DK) 2000-05-23 US disclosed