SCHEMBL5155682

SCHEMBL5155682

CC(C)Oc1ccccc1N1CCN(CCCN2C(=O)CCCC2=O)CC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.66
MEN1 O00255 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
HTR7 P34969 1/20 0.66
KMT2A Q03164 1/20 0.66
ADRA1A P35348 5/20 0.66
ADRA1B P35368 5/20 0.66
ADRA1D P25100 4/20 0.61

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
SCHEMBL5592278 0.97 HTR1A (0.68) HTR1AMEN1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL5592228 0.96 HTR1A (0.67) HTR1AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL5592230 0.92 HTR1A (0.74) HTR1AMEN1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL5610871 0.91 HTR1A (0.73) HTR1AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL4877989 0.87 HTR7 (0.86) HTR1AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL5813172 0.86 ADRA1A (0.61) HTR1AMEN1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4918970 0.86 HTR7 (0.84) HTR1AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL5808327 0.85 DRD2 (0.77) HTR1AMEN1HTR7KMT2AADRA1A
SCHEMBL7671770 0.85 HTR7 (0.91) HTR1AMEN1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL5820928 0.84 DRD2 (0.75) HTR1AMEN1HTR7KMT2AADRA1A

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
EP-1746998-A1 COMBINATION THERAPY FOR LOWER URINARY TRACT SYMPTOMS RANBAXY LABORATORIES, LTD. (IN) 2007-01-31 EP claimed
WO-2005092341-A1 COMBINATION THERAPY FOR LOWER URINARY TRACT SYMPTOMS RANBAXY LABORATORIES LIMITED (IN) 2005-10-06 WO claimed