SCHEMBL7640608

SCHEMBL7640608

CCC1(c2c[nH]cn2)Cc2cc(Cl)c(Cl)cc2C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
ADRA1B P35368 2/20 0.35

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
SCHEMBL8616108 0.90 ADRA2A (0.32) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL8616157 0.90 ADRA2A (0.36) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL8615811 0.85 PGK1 (0.38)
SCHEMBL4626063 0.85 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL7642900 0.83 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1B
Atipamezole SCHEMBL881064 0.81 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1B
Fipamezole SCHEMBL1271449 0.80 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL8610304 0.80 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1B
Fipamezole SCHEMBL935549 0.80 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1B
Atipamezole SCHEMBL3526769 0.80 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3276371-B2 2002-04-22 JP claimed
EP-0618906-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE JUVANTIA PHARMA LTD OY (FI) 1998-04-22 EP claimed
US-5498623-A MULTISTAGE REACTION FOR HALOGENATION OF COMPOUNDS, NITRATION, REDUCTION AND CONVERSION TO DIAZONIUM SALT THEN HALOGENATION FOR COGNITIVE DISORDERS ORION-YHTYMA OY (FI) 1996-03-12 US claimed
EP-0618906-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE ANTII SAKARI HAAPALINNA (FI) 1994-10-12 EP claimed
WO-1993013074-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Orion-Yhtymä Oy (FI) 1993-07-08 WO claimed
EP-0618906-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE JUVANTIA PHARMA LTD OY (FI) 1998-04-22 EP disclosed
US-5498623-A MULTISTAGE REACTION FOR HALOGENATION OF COMPOUNDS, NITRATION, REDUCTION AND CONVERSION TO DIAZONIUM SALT THEN HALOGENATION FOR COGNITIVE DISORDERS ORION-YHTYMA OY (FI) 1996-03-12 US disclosed