SCHEMBL9082016

SCHEMBL9082016

c1ccc(CCNCC2CCc3ccccc3C2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.74
ADRA1A P35348 1/20 0.74
ADRA1B P35368 1/20 0.74
GRIN2B Q13224 8/20 0.60
HTR2A P28223 1/20 0.56
HRH1 P35367 1/20 0.56
SIGMAR1 Q99720 5/20 0.54
HTR1D P28221 2/20 0.52
HTR1B P28222 1/20 0.52
GRIN1 Q05586 1/20 0.50
HTR1A P08908 3/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL4695758 0.90 ADRA1D (0.73) ADRA1DADRA1AADRA1BGRIN2BHTR2A
SCHEMBL9082550 0.89 ADRA1D (0.71) ADRA1DADRA1AADRA1BGRIN2BHTR2A
SCHEMBL9085175 0.89 ADRA1D (0.71) ADRA1DADRA1AADRA1BGRIN2BHTR2A
SCHEMBL9082586 0.89 ADRA1D (0.71) ADRA1DADRA1AADRA1BGRIN2BHTR2A
SCHEMBL9081216 0.86 ADRA1D (0.61) ADRA1DADRA1AADRA1BGRIN2BHTR2A
SCHEMBL9082688 0.85 ADRA1D (0.63) ADRA1DADRA1AADRA1BGRIN2BHTR2A
SCHEMBL9084496 0.85 ADRA1D (0.60) ADRA1DADRA1AADRA1BGRIN2BHTR2A
SCHEMBL7034334 0.85 ADRA1D (1.00) ADRA1DADRA1AADRA1BGRIN2BHTR1D
SCHEMBL12422869 0.84 ADRA1D (0.58) ADRA1DADRA1AADRA1BGRIN2BSIGMAR1
SCHEMBL9288534 0.83 ADRA1D (0.78) ADRA1DADRA1AADRA1BGRIN2BHTR2A

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-5508306-A USED FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA, LOWERING INTRAOCULAR PRESSURE AND INHIBITING CHOLESTEROL SYNTHESIS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-04-16 US disclosed