SCHEMBL7035783

SCHEMBL7035783

OCc1cc2c(cc1O)C(Cc1c[nH]cn1)CC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ESR1 P03372 6/20 0.35
ESR2 Q92731 6/20 0.35
POLA1 P09884 4/20 0.33
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL7037653 0.95 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7153910 0.88 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL27370374 0.85 ESR1 (0.34) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL27370373 0.85 ESR1 (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7032535 0.84 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7041808 0.84 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL27365959 0.83 ESR1 (0.34) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL27365958 0.82 ESR1 (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7035027 0.81 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7038660 0.81 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888309-B1 IMIDAZOLE DERIVATIVES HAVING AFFINITY FOR ALPHA2 RECEPTORS ACTIVITY ORION CORP (FI) 2003-03-19 EP disclosed
US-6313311-B1 ADRENERGIC STIMULANTS FOR POTENTIATING ANESTHETICS PRIOR TO SURGERY; HYPOTENSIVE AGENTS, ANALGESICS, ANTIISCHEMIC AGENTS; NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS ORION CORPORATION (FI) 2001-11-06 US disclosed
EP-0888309-A1 IMIDAZOLE DERIVATIVES HAVING AFFINITY FOR ALPHA2 RECEPTORS ACTIVITY ORION CORPORATION (FI) 1999-01-07 EP disclosed
WO-1997012874-A1 IMIDAZOLE DERIVATIVES HAVING AFFINITY FOR ALPHA2 RECEPTORS ACTIVITY Orion-Yhtymä Oy (FI) 1997-04-10 WO disclosed