SCHEMBL1806313

SCHEMBL1806313

Cc1nn(-c2c(F)cccc2OC(=O)N(C)C)cc1CO

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.36
NCEH1 Q6PIU2 3/20 0.36
TSHR P16473 3/20 0.36
BCHE P06276 1/20 0.35
P2RX7 Q99572 1/20 0.35
ACHE P22303 1/20 0.34
PKM P14618 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL1806310 0.81 GUCY1A1 (0.37) OPRL1
SCHEMBL1813166 0.76 OPRL1 (0.49) OPRL1NPC1RAB9A
SCHEMBL11972707 0.75 OPRL1 (0.39) OPRL1P2RX7
SCHEMBL27871912 0.74 OPRL1 (0.40) OPRL1TSHRP2RX7NPC1RAB9A
SCHEMBL1808960 0.74 OPRL1 (0.42) OPRL1TSHRNPC1RAB9A
SCHEMBL1810586 0.71 OPRL1 (0.37) OPRL1
SCHEMBL11972686 0.71 OPRL1 (0.40) OPRL1NPC1RAB9A
SCHEMBL11972841 0.70 OPRL1 (0.41) OPRL1RAB9A
SCHEMBL27888227 0.70 OPRL1 (0.42) OPRL1
SCHEMBL22699130 0.69 NCEH1 (0.54) NCEH1TSHRBCHEACHEPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501704-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2012-09-26 EP disclosed
CN-102666550-A Spiropiperidine compounds as ORL-1 receptor antagonists LILLY CO ELI 2012-09-12 CN disclosed
WO-2011060217-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 WO disclosed