SCHEMBL19251110

SCHEMBL19251110

Cc1cnc(N2CCN(C(C)O)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OGA O60502 13/20 0.52
APLNR P35414 1/20 0.40
DHFR P00374 1/20 0.40
TIPARP Q7Z3E1 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
ACACB O00763 1/20 0.38
GPR119 Q8TDV5 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
SCHEMBL890101 0.85 OGA (0.55) OGADHFRGPR119
SCHEMBL10530529 0.81 LMNA (0.53) OGA
SCHEMBL83122 0.79 OGA (0.50) OGADHFRGPR119
SCHEMBL81909 0.75 HRH4 (0.51) OGADHFRHDAC3HDAC1HDAC2
SCHEMBL436107 0.74 POLB (0.47) OGADHFRGPR119
SCHEMBL12457554 0.74 GPR119 (0.44) OGADHFRGPR119
SCHEMBL10085632 0.72 SMN1; SMN2 (0.50) OGADHFRHDAC6GPR119
SCHEMBL23559669 0.71 SORD (0.39) OGA
SCHEMBL26875834 0.71 DHFR (0.40) OGADHFRTIPARPGPR119
SCHEMBL24126289 0.71 GPR119 (0.47) OGADHFRTIPARPACACBGPR119

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-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed