SCHEMBL8613817

SCHEMBL8613817

CCC1(c2c[nH]cn2)Cc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.41
ADRA2A P08913 7/20 0.41
ADRA2B P18089 4/20 0.41
ADRA2C P18825 4/20 0.41
TDP2 O95551 1/20 0.38
ADRA1B P35368 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.35
NAMPT P43490 1/20 0.35
XDH P47989 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8610780 0.85 PNMT (0.43) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL8610760 0.80 PGR (0.35) ADRA2AADRA2BADRA2CADRA1BHTT
SCHEMBL8615811 0.80 PGK1 (0.38) CYP3A4LMNA
SCHEMBL8611882 0.79 ALDH1A1 (0.39) PNMTADRA2AADRA2BADRA2CTDP2
Fipamezole SCHEMBL1271449 0.79 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL7642900 0.79 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL8610304 0.79 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1B
Fipamezole SCHEMBL935549 0.79 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL8612885 0.79 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1B
Atipamezole SCHEMBL881064 0.78 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1BCYP3A4

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-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
EP-0618906-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE ANTII SAKARI HAAPALINNA (FI) 1994-10-12 EP disclosed
WO-1993013074-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Orion-Yhtymä Oy (FI) 1993-07-08 WO disclosed