SCHEMBL8611699

SCHEMBL8611699

CC1(c2c[nH]cn2)Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.34
ADRA2B P18089 3/20 0.34
ADRA2C P18825 3/20 0.34
ADRA1B P35368 3/20 0.34
KMT2A Q03164 1/20 0.32
HTR5A P47898 1/20 0.32

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
SCHEMBL8613975 0.81 KDM4E (0.30) KMT2A
SCHEMBL27261929 0.78 ADRA2A (0.32) ADRA2AADRA2BADRA2CADRA1B
Atipamezole SCHEMBL881064 0.78 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1BKMT2A
Atipamezole SCHEMBL31147780 0.77 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1BKMT2A
Atipamezole SCHEMBL3526769 0.77 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1BKMT2A
SCHEMBL8610780 0.77 PNMT (0.43) ADRA2AADRA2BADRA2C
SCHEMBL9325632 0.76 ADRA2A (0.42) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL9325667 0.75 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL8616201 0.74 KDM4E (0.39)
SCHEMBL9325681 0.74 ADRA2A (0.38) 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 2 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