SCHEMBL255863

SCHEMBL255863

CNCC1CC2(CCCCC2)C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 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
SCHEMBL24294685 0.85 SIGMAR1 (0.33) SIGMAR1
SCHEMBL16579986 0.78 KDM1A (0.32)
SCHEMBL26707596 0.78 SIGMAR1 (0.31) SIGMAR1
SCHEMBL22704494 0.78 CARM1 (0.31)
SCHEMBL18633184 0.77 L3MBTL1 (0.31)
SCHEMBL22704373 0.77 KDM4E (0.34)
SCHEMBL24511399 0.74 TSHR (0.35)
SCHEMBL18862773 0.73
SCHEMBL8266096 0.73 CTSL (0.33) SIGMAR1
SCHEMBL19195126 0.73 HTR2A (0.31) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012027960-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF 山东轩竹医药科技有限公司 (CN) 2012-03-08 WO disclosed