SCHEMBL9058323

SCHEMBL9058323

CCOC(=O)CCCN1CCC(OC(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.45
CYP1A2 P05177 1/20 0.40
CHRM3 P20309 7/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL8484271 0.82 HTR4 (0.44) HTR4CYP1A2RAB9AL3MBTL1
SCHEMBL17285917 0.82 KMT2A (0.49) HTR4CYP1A2RAB9AL3MBTL1
SCHEMBL27887743 0.82 HTR4 (0.48) HTR4CYP1A2RAB9AL3MBTL1
SCHEMBL11861074 0.81 CYP1A2 (0.53) HTR4CYP1A2RAB9AL3MBTL1
SCHEMBL17284641 0.81 SMYD3 (0.54) HTR4CYP1A2RAB9AL3MBTL1
SCHEMBL27871503 0.81 HTR4 (0.45) HTR4CYP1A2RAB9AL3MBTL1
SCHEMBL22878317 0.81 HTR4 (0.47) HTR4CYP1A2RAB9AL3MBTL1
SCHEMBL11454925 0.81 LMNA (0.54) L3MBTL1
SCHEMBL9058678 0.80 HTR4 (0.48) HTR4
SCHEMBL20309224 0.78 ALDH1A1 (0.46) HTR4L3MBTL1

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
WO-1996020173-A1 PIPERAZINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME, THEIR USE AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1996-07-04 WO disclosed