SCHEMBL7336124

SCHEMBL7336124

CC1CCN(C(=O)C(CCCNc2cccnn2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.53
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
GPR119 Q8TDV5 3/20 0.33
USP30 Q70CQ3 3/20 0.33
RXFP1 Q9HBX9 1/20 0.32
KDM1A O60341 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL7336118 1.00 F2 (0.53) F2JAK2JAK1GPR119USP30
SCHEMBL7334666 0.86 F2 (0.39) F2GPR119RXFP1KDM1AEHMT2
SCHEMBL7334655 0.86 F2 (0.39) F2GPR119RXFP1KDM1AEHMT2
SCHEMBL7331176 0.80 F2 (0.61) F2RXFP1
SCHEMBL7331163 0.80 F2 (0.61) F2RXFP1
SCHEMBL7357331 0.79 F2 (0.36) F2GPR119USP30KDM4EPKM
SCHEMBL7336551 0.71 F2 (0.41) F2
SCHEMBL7332768 0.71 F2 (0.65) F2
SCHEMBL7332782 0.71 F2 (0.65) F2
SCHEMBL7327687 0.71 F2 (0.41) F2KDM4E

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-5371091-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-06 US disclosed