SCHEMBL4303306

SCHEMBL4303306

Cc1c(CC2=NCCN2)cc(Cl)cc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.52
▸ HTR1D P28221 10/20 0.51
▸ HTR1B P28222 9/20 0.51
▸ ADRA2A P08913 4/20 0.51
▸ ADRA2B P18089 4/20 0.51
▸ ADRA2C P18825 4/20 0.51
▸ ADRA1D P25100 4/20 0.51
▸ ADRA1A P35348 4/20 0.51
▸ ADRA1B P35368 4/20 0.51
▸ HTR1A P08908 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CHRM2 P08172 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CHRM1 P11229 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ HTR2B P41595 2/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL26078505 0.83 TAAR1 (0.56) TAAR1HTR1DHTR1BADRA2AADRA2B
SCHEMBL26078605 0.76 HTR1D (0.48) TAAR1HTR1DHTR1BADRA2AADRA2B
SCHEMBL26078594 0.76 HTR1D (0.48) TAAR1HTR1DHTR1BADRA2AADRA2B
SCHEMBL26078611 0.76 HTR1D (0.48) TAAR1HTR1DHTR1BADRA2AADRA2B
SCHEMBL26078608 0.76 HTR1D (0.48) TAAR1HTR1DHTR1BADRA2AADRA2B
SCHEMBL26078507 0.75 HTR1D (0.57) TAAR1HTR1DHTR1BADRA2AADRA2B
SCHEMBL26078509 0.74 HTR1D (0.49) TAAR1HTR1DHTR1BADRA2AADRA2B
SCHEMBL26078561 0.73 HTR1D (0.76) TAAR1HTR1DHTR1BADRA2AADRA2B
SCHEMBL26078452 0.72 HTR1D (0.68) TAAR1HTR1DHTR1BADRA2AADRA2B
SCHEMBL26078499 0.72 ADRA2C (0.46) TAAR1HTR1DHTR1BADRA2AADRA2B

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
JP-2009256240-A IMIDAZOLINE DERIVATIVE UNIV OF FUKUI 2009-11-05 — — JP disclosed
WO-2009128479-A1 IMIDAZOLINE DERIVATIVE 日本ケミファ株式会社 (JP) 2009-10-22 — — WO disclosed
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