SCHEMBL8094640

SCHEMBL8094640

CC(CCCCCCc1ccccc1)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.57

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
SCHEMBL9418115 0.98 SIGMAR1 (0.56) SIGMAR1
SCHEMBL6286870 0.92 SIGMAR1 (0.55) SIGMAR1
SCHEMBL6060574 0.85 CSNK1E (0.58) SIGMAR1
SCHEMBL11644544 0.85 SIGMAR1 (0.49) SIGMAR1
SCHEMBL16752540 0.85 CSNK1E (0.58) SIGMAR1
SCHEMBL25212657 0.85 CSNK1E (0.58) SIGMAR1
SCHEMBL25204172 0.85 CSNK1E (0.58) SIGMAR1
SCHEMBL9242565 0.85 CSNK1E (0.58) SIGMAR1
SCHEMBL16370367 0.85 CSNK1E (0.58) SIGMAR1
SCHEMBL16915556 0.85 SIGMAR1 (0.49) SIGMAR1

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