SCHEMBL13273652

SCHEMBL13273652

NC(=O)C1CCN(c2nnc(-c3ccc(-c4cnc(N5CCC(OC6CCCC6)CC5)nc4)cc3)s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.43
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR1 P21453 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL13098830 0.87 ALDH1A1 (0.48) HRH3SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL13098833 0.85 HRH3 (0.42) HRH3
SCHEMBL13098832 0.85 HRH3 (0.42) HRH3
SCHEMBL3107287 0.84 HRH3 (0.43) HRH3
SCHEMBL3102261 0.84 HRH3 (0.43) HRH3
SCHEMBL13273259 0.84 HRH3 (0.43) HRH3
SCHEMBL13099117 0.84 HRH3 (0.42) HRH3S1PR1
SCHEMBL13099181 0.81 HRH3 (0.40) HRH3
SCHEMBL13099102 0.81 HRH3 (0.40) HRH3
SCHEMBL13098826 0.81 PIM1 (0.43) RAB9ASMN1; SMN2NPC1L3MBTL1

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
EP-2204379-A1 POLYPEPTIDE COMPOUND Astellas Pharma Inc. (JP) 2010-07-07 EP disclosed