SCHEMBL9174372

SCHEMBL9174372

COC(=O)CC1CCN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
CHRM4 P08173 2/20 0.46
FASN P49327 1/20 0.45
TACR3 P29371 3/20 0.45
FFAR2 O15552 1/20 0.43
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
DPP4 P27487 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM1A O60341 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41
EP300 Q09472 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9175929 0.87 CTSS (0.50) CTSSCTSKCHRM4DPP4SIGMAR1
SCHEMBL9175913 0.85 CHRM4 (0.51) CHRM4TACR3DPP4
Hydrochloric Acid SCHEMBL9175742 0.85 CHRM4 (0.51) CHRM4TACR3DPP4
SCHEMBL9170067 0.84 SIGMAR1 (0.59) CTSSCTSKCHRM4MEN1SIGMAR1
Hydrochloric Acid SCHEMBL9173150 0.83 CA12 (0.42) MEN1TDP1MAPTMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL9173969 0.81 ITGB3 (0.46) MEN1MAPTALDH1A1KMT2A
SCHEMBL9174730 0.80 ALDH1A1 (0.43) MEN1TDP1MAPTMAPK1SMN1; SMN2
SCHEMBL7753345 0.79 USP14 (0.52) CTSSCTSKCHRM4MEN1TDP1
SCHEMBL8407654 0.78 HRH2 (0.41) CTSSCTSKCHRM4KDM1ASIGMAR1
SCHEMBL8407652 0.78 HRH2 (0.45) CTSSCTSKCHRM4KDM1A

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