SCHEMBL2558221

SCHEMBL2558221

CC(C)(C)N1CCC(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.41
LIPG Q9Y5X9 12/20 0.41
HIF1A Q16665 1/20 0.37
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
F11 P03951 2/20 0.35
USP30 Q70CQ3 1/20 0.34
FFAR1 O14842 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33

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
SCHEMBL30055481 0.84 LPL (0.39) LPLLIPGHIF1A
SCHEMBL578423 0.84 QDPR (0.44) LPLLIPGHIF1ACA1CA2
SCHEMBL16112310 0.83 LPL (0.52) LPLLIPGHIF1ACA1CA2
SCHEMBL14804365 0.83 LPL (0.52) LPLLIPGHIF1ACA1CA2
SCHEMBL15788037 0.82 LPL (0.42) LPLLIPGHIF1ACA1CA2
SCHEMBL20925573 0.82 LPL (0.40) LPLLIPGHIF1ACA1CA2
SCHEMBL21801762 0.81 GRIN2B (0.44) LPLLIPGHIF1ACA1CA2
SCHEMBL31222859 0.80 KCNH2 (0.41) LPLLIPGHIF1ACA1CA2
SCHEMBL14167751 0.80 LPL (0.45) LPLLIPGHIF1AF11
SCHEMBL3136657 0.80 HIF1A (0.49) LPLLIPGHIF1ACA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749651-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2020-12-16 EP disclosed
WO-2019157417-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-08-15 WO disclosed
EP-2558468-A1 5, 7-SUBSTITUTED-IMIDAZO [1, 2-C]PYRIMIDINES AS INHIBITORS OF JAK KINASES Array Biopharma, Inc. (US) 2013-02-20 EP disclosed
WO-2011130146-A1 5, 7-SUBSTITUTED-IMIDAZO [1, 2-C] PYRIMIDINES AS INHIBITORS OF JAK KINASES ARRAY BIOPHARMA INC. (US) 2011-10-20 WO disclosed