SCHEMBL13784332

SCHEMBL13784332

CC(C)C1NC(=O)C(CO)NC(=O)[C@H](C(C)C)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
MLNR O43193 3/20 0.39
PRKCD Q05655 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HDAC3 O15379 3/20 0.36
NCOR1 O75376 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
PRKD3 O94806 1/20 0.36

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
SCHEMBL17966438 1.00 HRH3 (0.40) HRH3MLNRPRKCDSMN1; SMN2THRB
SCHEMBL13784334 0.91 HDAC3 (0.45) HRH3HDAC3NCOR1HDAC4HDAC1
SCHEMBL29822681 0.91 MLNR (0.38) HRH3MLNR
SCHEMBL13784337 0.89 SOAT1 (0.43) HRH3MLNRSMN1; SMN2THRBHPGD
SCHEMBL15762029 0.83 HRH3 (0.40) HRH3MLNRPRKCDHDAC3NCOR1
SCHEMBL2672144 0.83 HRH3 (0.40) HRH3MLNRPRKCDHDAC3NCOR1
SCHEMBL4402045 0.83 HRH3 (0.40) HRH3MLNRPRKCDHDAC3NCOR1
SCHEMBL13399582 0.82 ABCB1 (0.36) HRH3MLNRPRKCDTHRBHDAC4
SCHEMBL13290575 0.82 ABCB1 (0.36) HRH3MLNRPRKCDTHRBHDAC4
SCHEMBL18751776 0.82 ABCB1 (0.36) HRH3MLNRPRKCDTHRBHDAC4

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-7566765-B2 Heterocyclic compounds containing a nine-membered carbon-nitrogen ring RIGEL PHARMACEUTICALS, INC. (US) 2009-07-28 US disclosed