SCHEMBL7538424

SCHEMBL7538424

COCCOc1cc2c(cc1C1=NCCN1)CCCC2C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.33
SLC6A4 P31645 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP2D6 P10635 2/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.32
PARP1 P09874 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
NISCH Q9Y2I1 4/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL7543472 0.84 KDM4E (0.36) KDM4EADRA2ANISCHPDCD1LG2CD274
Hydrochloric Acid SCHEMBL8218663 0.84 KDM4E (0.39) KDM4EADRA2ANISCHPDCD1LG2CD274
SCHEMBL8218198 0.74 NISCH (0.40) KDM4EADRA2ANISCHPDCD1LG2CD274
SCHEMBL8218532 0.73 NISCH (0.38) KDM4EADRA2AADRA1ANISCHPDCD1LG2
Iodide SCHEMBL7537909 0.71 NOS3 (0.36) ADRA2ANISCH
SCHEMBL8198539 0.71 MC4R (0.49) NISCHPDCD1LG2CD274
SCHEMBL7485052 0.70 KDM4C (0.37) RENKDM4EMEN1ALDH1A1KMT2A
SCHEMBL8208937 0.70 PDCD1LG2 (0.35) KDM4EPARP1NISCHPDCD1LG2CD274
Hydrochloric Acid SCHEMBL8203684 0.70 MC4R (0.46) KDM4ENISCHPDCD1LG2CD274
SCHEMBL6824821 0.69 MC4R (0.43) KDM4ENISCHPDCD1LG2CD274

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-1204644-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2000078725-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed