SCHEMBL8093734

SCHEMBL8093734

CCCCc1ccccc1Cc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.55
CALM1 P0DP23 1/20 0.46
TLR8 Q9NR97 2/20 0.46
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
LTA4H P09960 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HSD11B1 P28845 1/20 0.40
HRH1 P35367 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39

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
SCHEMBL6547306 0.96 HTR2A (0.59) HTR2ACALM1TLR8LMNAHTT
SCHEMBL8093182 0.94 HTR2A (0.53) HTR2ACALM1TLR8LMNAHTT
SCHEMBL8087309 0.94 HTR2A (0.50) HTR2ATLR8LMNAHTTLIPG
SCHEMBL8101352 0.93 HTR2A (0.52) HTR2ATLR8LMNALIPGSIGMAR1
SCHEMBL8094124 0.93 HTR2A (0.52) HTR2ATLR8LMNALIPGSIGMAR1
SCHEMBL8094855 0.93 HTR2A (0.52) HTR2ATLR8LMNALIPGSIGMAR1
SCHEMBL22471642 0.90 HTR2A (0.57) HTR2ATLR8LMNAHTTLIPG
SCHEMBL22471644 0.89 HTR2A (0.55) HTR2ATLR8LIPGSIGMAR1BCL2L1
SCHEMBL10454636 0.89 HTR2A (0.55) HTR2ATLR8LIPGSIGMAR1BCL2L1
SCHEMBL27342279 0.89 HTR2A (0.55) HTR2ATLR8LIPGSIGMAR1BCL2L1

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-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed