SCHEMBL9177754

SCHEMBL9177754

COC(=O)[C@H]1CC[C@H](N(C)C(=O)C2CCN(c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
PDK2 Q15119 2/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
KCNMA1 Q12791 1/20 0.40
CHRM4 P08173 1/20 0.40
NPY5R Q15761 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
FFAR2 O15552 1/20 0.39
TACR3 P29371 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCR5 P51681 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
GFER P55789 1/20 0.38
CYP46A1 Q9Y6A2 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL9177756 1.00 MAPT (0.49) MAPTPDK2PDE3BPDE3AKCNMA1
SCHEMBL9176475 0.97 MAPT (0.47) MAPTPDK2PDE3BPDE3AKCNMA1
SCHEMBL16648433 0.87 MAPT (0.61) MAPTPDK2PDE3BPDE3AKCNMA1
SCHEMBL9173908 0.86 PANK3 (0.46) MAPTCHRM4CTSSCTSKTACR3
SCHEMBL9176486 0.86 PANK3 (0.46) MAPTCHRM4CTSSCTSKTACR3
SCHEMBL9173914 0.86 PANK3 (0.46) MAPTCHRM4CTSSCTSKTACR3
SCHEMBL9171138 0.83 MAPT (0.45) MAPTPDK2KCNMA1CHRM4CTSS
SCHEMBL9171142 0.83 MAPT (0.45) MAPTPDK2KCNMA1CHRM4CTSS
SCHEMBL9171300 0.82 OPRM1 (0.48) MAPTPDK2CHRM4FFAR2CCR5
SCHEMBL9173069 0.82 MAPT (0.43) MAPTPDK2PDE3BPDE3AKCNMA1

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
US-5442064-A Anticoagulants, antiagglomerants DR. KARL THOMAE GMBH (DE) 1995-08-15 US disclosed
EP-0592949-A2 N-(aminocarbonyl)-piperidines/pepirazines as aggregation inhibiting agents Dr. Karl Thomae GmbH (DE) 1994-04-20 EP disclosed