SCHEMBL28853807

SCHEMBL28853807

Cc1nccc(C(=O)N2CCCC(c3ccc(C(F)(F)F)cc3)C2)c1C

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 16/20 0.63
PDE2A O00408 1/20 0.49
PDE3A Q14432 1/20 0.49
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
Ammonia Solution, Strong SCHEMBL28053548 0.99 PROKR1 (0.62) PROKR1PDE2APDE3AMEN1ALDH1A1
Formic Acid SCHEMBL28053557 0.95 PROKR1 (0.58) PROKR1PDE2APDE3AMEN1ALDH1A1
SCHEMBL28188752 0.83 PROKR1 (0.52) PROKR1
Ammonia Solution, Strong SCHEMBL28053444 0.82 PROKR1 (0.51) PROKR1
SCHEMBL28188722 0.82 PROKR1 (0.78) PROKR1
SCHEMBL28189303 0.81 PROKR1 (0.64) PROKR1
Ammonia Solution, Strong SCHEMBL28053540 0.81 PROKR1 (0.63) PROKR1
SCHEMBL16446196 0.77 PROKR1 (1.00) PROKR1
SCHEMBL16445950 0.77 PROKR1 (1.00) PROKR1
SCHEMBL28188817 0.77 PROKR1 (0.66) PROKR1PDE2A

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
CN-105452233-B Piperidine and azepane derivatives as prokineticin receptor modulators 武田药品工业株式会社 2017-12-08 CN claimed
CN-105452233-B Piperidine and azepane derivatives as prokineticin receptor modulators 武田药品工业株式会社 2017-12-08 CN disclosed