SCHEMBL8945344

SCHEMBL8945344

CC1(Cc2ccc(N)cc2)CCC(c2cccc(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
MAOB P27338 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36
PARP10 Q53GL7 1/20 0.35
DRD4 P21917 1/20 0.35
P2RX7 Q99572 4/20 0.34
CCR5 P51681 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
SCHEMBL8945278 0.86 HTR2C (0.46) HTR2AHTR2CHTR2BADAMTS5TAAR1
SCHEMBL8944937 0.85 KDM1A (0.43) KDM1ARCOR1MAOBHTR2AHTR2C
SCHEMBL8945326 0.84 KDM1A (0.40) KDM1ARCOR1MAOBHTR2AHTR2C
SCHEMBL8945105 0.82 DRD2 (0.44) MAOBDRD4
SCHEMBL8945217 0.72 HTR2C (0.43) MAOBHTR2AHTR2CHTR2BTAAR1
SCHEMBL8945239 0.71 HTR2C (0.43) HTR2AHTR2CHTR2BADAMTS5TAAR1
SCHEMBL8945134 0.71 SIGMAR1 (0.37) DRD4
Ethylamine SCHEMBL28128862 0.71 HTR2A (0.51) KDM1ARCOR1HTR2AHTR2CHTR2B
SCHEMBL8945160 0.70 HTR6 (0.36) MAOB
SCHEMBL8945086 0.70 HTR2C (0.43) HTR2AHTR2CHTR2BADAMTS5DRD4

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
US-5501884-A Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1996-03-26 US disclosed