SCHEMBL5801216

SCHEMBL5801216

CC(C)Oc1ccccc1N1CCN(CC#CCN2C(=O)CCCC2=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.57
ADRA1B P35368 5/20 0.57
ADRA1D P25100 5/20 0.57
HTR1A P08908 1/20 0.56

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
Hydrochloric Acid SCHEMBL5802232 0.99 ADRA1A (0.56) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL5800584 0.87 HTR1A (0.62) ADRA1AADRA1BADRA1DHTR1A
Hydrochloric Acid SCHEMBL5801035 0.86 HTR1A (0.61) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL5801012 0.85 DRD2 (0.53) ADRA1AADRA1BADRA1DHTR1A
Hydrochloric Acid SCHEMBL5800862 0.84 DRD2 (0.52) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL5155682 0.83 HTR1A (0.66) ADRA1AADRA1BADRA1DHTR1A
Hydrochloric Acid SCHEMBL6406987 0.83 ADRA1A (0.66) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL5592278 0.82 HTR1A (0.68) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL5801015 0.81 HTR1A (0.44) ADRA1AADRA1BADRA1DHTR1A
Hydrochloric Acid SCHEMBL5592228 0.81 HTR1A (0.67) ADRA1AADRA1BADRA1DHTR1A

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
WO-2006051399-A1 PIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-05-18 WO claimed
WO-2006051399-A1 PIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-05-18 WO disclosed