SCHEMBL7409264

SCHEMBL7409264

COc1ccc(OCCNC(=O)C2CCNCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
ALDH1A1 P00352 3/20 0.68
KMT2A Q03164 4/20 0.61
MEN1 O00255 2/20 0.61
MTNR1A P48039 4/20 0.57
MTNR1B P49286 4/20 0.57
EPHX2 P34913 2/20 0.56
NPC1 O15118 2/20 0.56
PKM P14618 1/20 0.56
RAB9A P51151 1/20 0.56
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL28619865 0.87 KMT2A (0.57) SMN1; SMN2ALDH1A1KMT2AMEN1EPHX2
SCHEMBL17842262 0.86 RAB9A (0.75) SMN1; SMN2ALDH1A1KMT2AMEN1MTNR1A
SCHEMBL8640087 0.85 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1KMT2AMEN1MTNR1A
SCHEMBL8639322 0.83 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KMT2AMEN1EPHX2
SCHEMBL8773761 0.82 MEN1 (0.54) SMN1; SMN2ALDH1A1KMT2AMEN1EPHX2
SCHEMBL13745650 0.81 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1KMT2AMEN1EPHX2
SCHEMBL8641864 0.81 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1KMT2AMEN1MTNR1A
SCHEMBL8928243 0.80 MTNR1A (0.68) SMN1; SMN2ALDH1A1KMT2AMEN1MTNR1A
SCHEMBL8635989 0.79 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KMT2AMEN1EPHX2
SCHEMBL3963855 0.79 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KMT2AMEN1MTNR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed