SCHEMBL9083597

SCHEMBL9083597

COc1cccc(CCNCC2CCc3ccccc3C2)c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.77
ADRA1A P35348 1/20 0.77
ADRA1B P35368 1/20 0.77
BCHE P06276 3/20 0.51
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
MCHR1 Q99705 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
CYP26A1 O43174 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
HTR1A P08908 1/20 0.44

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
SCHEMBL15131123 0.91 ADRA1D (0.65) ADRA1DADRA1AADRA1BBCHEKMT2A
SCHEMBL7034334 0.87 ADRA1D (1.00) ADRA1DADRA1AADRA1BBCHEKMT2A
SCHEMBL9082688 0.84 ADRA1D (0.63) ADRA1DADRA1AADRA1BPOLBALDH1A1
SCHEMBL9082667 0.84 ADRA1D (0.73) ADRA1DADRA1AADRA1BKMT2APOLB
SCHEMBL1965727 0.84 CHRM2 (0.60) ADRA1DADRA1AADRA1BBCHEKMT2A
SCHEMBL9081216 0.83 ADRA1D (0.61) ADRA1DADRA1AADRA1BALDH1A1GRIN2B
SCHEMBL9082016 0.82 ADRA1D (0.74) ADRA1DADRA1AADRA1BALDH1A1GRIN1
SCHEMBL9084496 0.82 ADRA1D (0.60) ADRA1DADRA1AADRA1BCHRM2CHRM3
SCHEMBL9083412 0.82 ADRA1D (0.70) ADRA1DADRA1AADRA1BKMT2APOLB
Hydrochloric Acid SCHEMBL7335860 0.80 POLB (0.74) KMT2APOLBCHRM2CHRM1CHRM3

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 3 patents. 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
WO-1995007075-A9 NOVEL AROMATIC AMINE DERIVATIVES 1995-04-27 WO disclosed
WO-1995007075-A1 NOVEL AROMATIC AMINE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1995-03-16 WO disclosed