SCHEMBL14159048

SCHEMBL14159048

CC(C)CN1CCC(COc2ccc(C(C)C)c(F)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.43
▸ ACACB O00763 1/20 0.42

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
SCHEMBL14159071 0.88 P2RY1 (0.48) P2RY1ACACB
SCHEMBL21736840 0.86 PARP10 (0.48) KCNH2ACACB
SCHEMBL13439696 0.85 SIGMAR1 (0.48) —
SCHEMBL13439757 0.83 P2RY1 (0.56) P2RY1KCNH2HRH3
SCHEMBL14159031 0.79 HRH3 (0.51) HRH3
SCHEMBL13439710 0.77 GPR119 (0.58) —
SCHEMBL27358303 0.76 TLR8 (0.48) —
SCHEMBL13450959 0.75 P2RY1 (0.49) P2RY1
SCHEMBL20374442 0.74 PARP10 (0.45) KCNH2ACACB
SCHEMBL13439758 0.74 HRH3 (0.49) P2RY1HRH3

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-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 — — US disclosed
Send feedback