SCHEMBL29205180

SCHEMBL29205180

COCC1CCN(C(=O)N2CCC(=C(C#N)c3ccc(SCl)cc3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 5/20 0.34
EGLN1 Q9GZT9 2/20 0.34
RAB9A P51151 2/20 0.33
CHRM2 P08172 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
RORC P51449 1/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL29205126 0.88 ALOX5 (0.36) PROKR1
SCHEMBL29205146 0.87 KDM1A (0.34) PROKR1EGLN1RAB9APOLB
SCHEMBL27166167 0.87 HSD11B1 (0.39) KMT2A
SCHEMBL29205204 0.84 GRM5 (0.36) PROKR1
SCHEMBL29205160 0.84 PROKR1 (0.34) PROKR1GPR119KMT2AMEN1
SCHEMBL30055357 0.81 MGLL (0.40) KMT2AMEN1
SCHEMBL27166064 0.81 MGLL (0.40) KMT2AMEN1
SCHEMBL29205170 0.80 PROKR1 (0.35) PROKR1
SCHEMBL27166084 0.78 F10 (0.35) EGLN1RORCKMT2AMEN1POLB
SCHEMBL27166031 0.76 ALOX5 (0.48) PROKR1KMT2AMEN1

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
CN-117794899-A Novel heterocyclic compounds, compositions, methods of preparation and uses thereof 欧加农研发芬兰有限公司 2024-03-29 CN disclosed