SCHEMBL15717294

SCHEMBL15717294

O=C(O)NC1CCNc2c(CF)cc(Cl)cc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APOL1 O14791 1/20 0.32
▸ OPRK1 P41145 4/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ GRN P28799 1/20 0.30
▸ SORT1 Q99523 1/20 0.30
▸ P2RX7 Q99572 3/20 0.30
▸ SHMT1 P34896 1/20 0.30
▸ SHMT2 P34897 1/20 0.30

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
SCHEMBL3666639 0.70 SLC2A1 (0.35) APOL1
SCHEMBL15717438 0.67 TAS1R3 (0.40) APOL1OPRK1P2RX7
SCHEMBL19973579 0.64 FADS1 (0.48) —
SCHEMBL3729303 0.63 APOL1 (0.32) APOL1
SCHEMBL1872257 0.62 BDKRB1 (0.46) OPRK1
SCHEMBL19973434 0.62 TP53 (0.46) —
Hydrochloric Acid SCHEMBL1873147 0.61 BDKRB1 (0.45) OPRK1
SCHEMBL14778920 0.61 CCR2 (0.50) —
SCHEMBL3936733 0.61 CCR2 (0.50) —
SCHEMBL7383773 0.61 CCR2 (0.50) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2920166-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN Array Biopharma, Inc. (US) 2015-09-23 — — EP disclosed
WO-2014078454-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2014-05-22 — — WO disclosed
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