SCHEMBL6967932

SCHEMBL6967932

CC(c1ccccc1)c1c[nH]cn1.N=CN

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
HTR2C P28335 1/20 0.35
TAAR1 Q96RJ0 3/20 0.32
DAO P14920 1/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 2/20 0.30
GAA P10253 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL2104149 0.92 HTR2C (0.39) KMT2AHTR2CTAAR1DAOLMNA
SCHEMBL13256930 0.80 CYP3A4 (0.35) GAACYP3A4CYP2C19SLC6A2SLC6A4
SCHEMBL2100807 0.75 FFAR1 (0.33) KMT2ATAAR1LMNAKDM4ETSHR
SCHEMBL4535035 0.74 DPP4 (0.38) ADRA2AADRA2CSLC6A2SLC6A4SLC6A3
SCHEMBL11891085 0.73 SLC6A2 (0.50) KMT2AALDH1A1GAATSHRCYP2C19
SCHEMBL7105853 0.73
SCHEMBL2104696 0.73 CYP19A1 (0.37)
SCHEMBL15330642 0.73 ALDH1A1 (0.34) ALDH1A1RAB9A
SCHEMBL2105081 0.72 HSD11B1 (0.34) KMT2AALDH1A1CYP3A4
SCHEMBL6588790 0.71 TAAR1 (0.52) TAAR1ALDH1A1

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-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed