SCHEMBL8101080

SCHEMBL8101080

CCCCCCCCCCCCC(c1ccc(C2(c3ccc(C(CCCCCCCCCCCC)c4ccc(N)cc4C)cc3)CCC(CCCCCCCCCCC)CC2)cc1)c1ccc(N)cc1C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.32
GRM2 Q14416 2/20 0.32
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL8087568 1.00 CYP19A1 (0.32) CYP19A1GRM2SLC6A4SLC6A3
SCHEMBL8095700 1.00 CYP19A1 (0.32) CYP19A1GRM2SLC6A4SLC6A3
SCHEMBL8094481 1.00 CYP19A1 (0.32) CYP19A1GRM2SLC6A4SLC6A3
SCHEMBL8094818 1.00 CYP19A1 (0.32) CYP19A1GRM2SLC6A4SLC6A3
SCHEMBL8101907 1.00 CYP19A1 (0.32) CYP19A1GRM2SLC6A4SLC6A3
SCHEMBL8101900 1.00 CYP19A1 (0.32) CYP19A1GRM2SLC6A4SLC6A3
SCHEMBL8098002 1.00 CYP19A1 (0.32) CYP19A1GRM2SLC6A4SLC6A3
SCHEMBL8099276 1.00 CYP19A1 (0.32) CYP19A1GRM2SLC6A4SLC6A3
SCHEMBL8099393 1.00 CYP19A1 (0.32) CYP19A1GRM2SLC6A4SLC6A3
SCHEMBL8099190 1.00 CYP19A1 (0.32) CYP19A1GRM2SLC6A4SLC6A3

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