SCHEMBL8569917

SCHEMBL8569917

CNC(=O)C1CCc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.57
P2RX7 Q99572 1/20 0.53
MTNR1A P48039 4/20 0.53
MTNR1B P49286 4/20 0.53
FAAH O00519 2/20 0.48
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NPY5R Q15761 3/20 0.44
GBA1 P04062 1/20 0.43
PLAU P00749 1/20 0.43
F2 P00734 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
SCHEMBL17793659 0.87 P2RX7 (0.47) GHSRP2RX7MTNR1AMTNR1BFAAH
SCHEMBL366547 0.84 P2RX7 (0.55) GHSRP2RX7MTNR1AMTNR1BFAAH
SCHEMBL6584070 0.83 P2RX7 (0.53) GHSRP2RX7MTNR1AMTNR1BFAAH
SCHEMBL6584064 0.83 P2RX7 (0.53) GHSRP2RX7MTNR1AMTNR1BFAAH
SCHEMBL25518906 0.82 GHSR (0.53) GHSRP2RX7MTNR1AMTNR1BFAAH
SCHEMBL7072069 0.81 P2RX7 (0.52) GHSRP2RX7MTNR1AMTNR1BFAAH
SCHEMBL21063860 0.81 CA1 (0.53) GHSRP2RX7MAOAMAOB
SCHEMBL406043 0.80 MTNR1A (0.57) GHSRP2RX7MTNR1AMTNR1BFAAH
SCHEMBL15478536 0.80 MTNR1A (0.57) GHSRP2RX7MTNR1AMTNR1BFAAH
SCHEMBL6642213 0.80 GHSR (0.69) GHSRP2RX7

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-2365976-B1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME (US) 2015-04-15 EP disclosed
US-7488752-B2 nor-seco himbacine derivatives; thrombosis, anticoagulants, anticancer agents; antiinflammatory agents; anticholesterol agents; cardiovascular disorders; antiarrhythmia agents; antiischemic agents; strokes; antiarthritic agents SCHERING CORPORATION (US) 2009-02-10 US disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed