SCHEMBL9747201

SCHEMBL9747201

CC(c1ccccc1)C([CH]c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
CYP2D6 P10635 1/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTR2A P28223 3/20 0.34
CYP1A2 P05177 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
SCHEMBL28805536 0.76 TAAR1 (0.37) TAAR1ADRA2AADRA2CCYP2D6LMNA
SCHEMBL10348035 0.76 LMNA (0.46) TAAR1ADRA2AADRA2CCYP2D6LMNA
SCHEMBL12950121 0.76 CYP2D6 (0.39) TAAR1ADRA2AADRA2CCYP2D6LMNA
SCHEMBL12950125 0.76 CYP2D6 (0.39) TAAR1ADRA2AADRA2CCYP2D6LMNA
SCHEMBL3246544 0.75 TRPA1 (0.45) TDP1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL908216 0.72 TAAR1 (0.50) TAAR1ADRA2AADRA2CCYP2D6LMNA
SCHEMBL315078 0.71 HTR2A (0.41) TDP1LMNAHTR2A
SCHEMBL27633315 0.69 HTR2A (0.40) TDP1CYP2D6LMNAKDM4EHTR2A
SCHEMBL7366231 0.69 ALDH1A1 (0.39) TAAR1CYP2D6LMNAKDM4EHTR2A
SCHEMBL599878 0.68 TAAR1 (0.48) TAAR1ADRA2AADRA2CCYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0204285-B1 IMIDAZOHETEROCYCLIC COMPOUNDS PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-15 EP disclosed
US-4725601-A Certain imidazo[1,2-a]pyridines useful in the treatment of ulcers FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-16 US disclosed
EP-0204285-A1 Imidazoheterocyclic compounds processes for preparation thereof and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-12-10 EP disclosed