SCHEMBL9138484

SCHEMBL9138484

c1cn(C(C2CCCCC2)N2CCN(C(C3CCCCC3)n3ccnn3)CC2)nn1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 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
SCHEMBL27446219 0.89 OPRM1 (0.32)
SCHEMBL3601972 0.75 PDE8B (0.35) CYP19A1
SCHEMBL3589585 0.66 CYP19A1 (0.35) CYP19A1
SCHEMBL9192169 0.63 CYP19A1 (0.59) CYP19A1
SCHEMBL3588956 0.62 CYP19A1 (0.33) CYP19A1
SCHEMBL3586337 0.62 EGLN2 (0.33) CYP19A1
SCHEMBL7767473 0.60 CYP19A1 (0.48) CYP19A1
Cyclohexylamine SCHEMBL8617233 0.59
SCHEMBL20031997 0.59 EPHX1 (0.37)
SCHEMBL20032245 0.59 EPHX1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5441563-A Antifoam agents in printing inks ARMSTRONG WORLD INDUSTRIES, INC. (US) 1995-08-15 US claimed
US-5441563-A Antifoam agents in printing inks ARMSTRONG WORLD INDUSTRIES, INC. (US) 1995-08-15 US disclosed