SCHEMBL9052963

SCHEMBL9052963

O=C1CCN(C(=O)O)CC1Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.43
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
HSD11B1 P28845 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TACR1 P25103 2/20 0.40
KDM4E B2RXH2 1/20 0.40
FAAH O00519 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL15352654 1.00 TACR3 (0.43) TACR3DDB1CRBNHSD11B1L3MBTL1
SCHEMBL9051840 0.85 NPC1 (0.41) KMT2AMEN1TACR1PKM
SCHEMBL11538529 0.84 L3MBTL1 (0.49) L3MBTL1KMT2AMEN1ALDH1A1GAA
SCHEMBL4480437 0.82 JAK2 (0.49) KDM4EGAAPKM
SCHEMBL4784040 0.78 NOTUM (0.45) L3MBTL1KMT2AMEN1KDM4EALDH1A1
SCHEMBL1618266 0.77 TACR1 (0.61) TACR1ALDH1A1
SCHEMBL6041583 0.77 TACR1 (0.61) TACR1ALDH1A1
SCHEMBL2449718 0.77 KMT2A (0.43) TACR3HSD11B1L3MBTL1KMT2AMEN1
SCHEMBL2704313 0.75 SMN1; SMN2 (0.41) L3MBTL1KMT2AMEN1TACR1ALDH1A1
SCHEMBL27461844 0.73 PLA2G10 (0.35) TACR3DDB1CRBNHSD11B1L3MBTL1

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
WO-1996041802-A1 NOVEL HETEROAROMATIC PIPERAZINES FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-12-27 WO claimed
WO-1996041802-A1 NOVEL HETEROAROMATIC PIPERAZINES FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-12-27 WO disclosed