SCHEMBL11632563

SCHEMBL11632563

CC1(C)CC(O)CC(C)(C)N1CCCCCCN1C(C)(C)CC(O)CC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.33
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GUSB P08236 2/20 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
SCHEMBL9972712 0.98 KMT2A (0.34) KMT2ACYP2D6GAAL3MBTL1
SCHEMBL9972715 0.93 KMT2A (0.34) KMT2ACYP2D6GAAL3MBTL1
SCHEMBL11787175 0.92 KMT2A (0.31) KMT2ACYP2D6
SCHEMBL11786757 0.92 KMT2A (0.31) KMT2ACYP2D6
SCHEMBL11789376 0.92 KMT2A (0.31) KMT2ACYP2D6
SCHEMBL8481829 0.92 GUSB (0.43) GAAGUSB
SCHEMBL11273758 0.92 GUSB (0.43) GAAGUSB
SCHEMBL11252165 0.92 GUSB (0.43) GAAGUSB
SCHEMBL8476235 0.92 GUSB (0.43) GAAGUSB
SCHEMBL2459374 0.90 GUSB (0.40) GAAGUSB

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-4102870-A PIPERIDINE COMPOUND IN POLYMER MOLECULE CIBA-GEIGY CORPORATION (US) 1978-07-25 US disclosed