SCHEMBL11545822

SCHEMBL11545822

CN1C(C)(C)CC(NCCCN)CC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 1/20 0.33
KDM1A O60341 1/20 0.30

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
SCHEMBL7661667 0.93 SQLE (0.40) SQLEKDM1A
SCHEMBL11140564 0.88
SCHEMBL295240 0.86 GNAI3 (0.35)
SCHEMBL10638135 0.86 ACE2 (0.41) SQLE
SCHEMBL11027281 0.84 HDAC4 (0.30)
SCHEMBL870341 0.83 GNAI3 (0.37)
SCHEMBL4710169 0.80 GNAI3 (0.46)
SCHEMBL10640147 0.80 KDM4E (0.34)
SCHEMBL9456737 0.80 GNAI3 (0.46)
SCHEMBL9492627 0.80 GNAI3 (0.46)

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-4145512-A Permanently stabilized polyurethanes BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 US disclosed