SCHEMBL4947982

SCHEMBL4947982

COc1ccc(N2CC3(CCN(c4ccc(OC5CCN(C(=O)O)C(C(C)(C)C)C5)cc4)CC3)OCC2=O)cn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.38
PIK3CA P42336 8/20 0.38
OXTR P30559 3/20 0.36
AVPR1A P37288 2/20 0.36
ACACB O00763 7/20 0.34
FFAR1 O14842 2/20 0.32
PIK3CB P42338 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
SCHEMBL736539 0.83 GPR119 (0.42) PIK3CDPIK3CA
SCHEMBL736553 0.82 OXTR (0.41) PIK3CDPIK3CAOXTRAVPR1A
SCHEMBL737585 0.81 HRH3 (0.42) PIK3CDPIK3CAOXTRAVPR1AACACB
SCHEMBL737780 0.81 CHRNB2 (0.41) PIK3CDPIK3CAOXTRAVPR1A
SCHEMBL736044 0.81 HRH3 (0.43) OXTRAVPR1A
SCHEMBL736345 0.77 OPRM1 (0.40) AVPR1A
SCHEMBL736248 0.74 SIGMAR1 (0.48)
SCHEMBL736163 0.74 HRH3 (0.43) OXTRAVPR1AACACB
SCHEMBL736561 0.74 GPR119 (0.43)
SCHEMBL735206 0.73 HRH3 (0.43) ACACB

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
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP disclosed