SCHEMBL7866083

SCHEMBL7866083

COc1cc2c(c(OC)c1)C(c1c[nH]cn1)CC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
DRD1 P21728 2/20 0.39
MAP2K3 P46734 1/20 0.38
ACHE P22303 1/20 0.36
GRIN2C Q14957 3/20 0.35
FKBP1A P62942 3/20 0.34
KDM4C Q9H3R0 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7605131 0.80 HTR1A (0.43) HTR1A
SCHEMBL7609736 0.77 CYP19A1 (0.46) DRD1HTR2C
SCHEMBL7607644 0.75 CYP19A1 (0.46) HTR2CHTR2BSIGMAR1
SCHEMBL8865945 0.74 HTR1A (0.41) HTR1A
SCHEMBL8865285 0.72 GID4 (0.50) HTR2CSIGMAR1
SCHEMBL8865242 0.71 CHRNA7 (0.41)
SCHEMBL7604210 0.70 ADRA1A (0.38) HTR2B
Hydrochloric Acid SCHEMBL7604517 0.69 ADRA1A (0.37) HTR2B
SCHEMBL8865794 0.68 ADRA1A (0.37)
SCHEMBL8866074 0.68 ADRA1A (0.45) PARP1HTR2B

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
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
CN-1068592-C Imidazole derivatives having affinity for alpha 2 receptors activity ORION YHTYMAE OY (FI) 2001-07-18 CN 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