SCHEMBL6709477

SCHEMBL6709477

CC([CH]c1cccc2ccccc12)CC#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD2 O60906 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
F2 P00734 1/20 0.38
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHAT P28329 3/20 0.36
HTT P42858 1/20 0.35
RXRA P19793 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34

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
SCHEMBL4819774 0.83 SMPD2 (0.42) SMPD2MTNR1AMTNR1BALDH1A1LMNA
SCHEMBL6027641 0.78 SMPD2 (0.41) SMPD2MTNR1AMTNR1BALDH1A1LMNA
SCHEMBL27813589 0.78 SMPD2 (0.44) SMPD2MTNR1AMTNR1BALDH1A1LMNA
SCHEMBL28299894 0.75 CHAT (0.41) SMPD2MTNR1AMTNR1BALDH1A1LMNA
SCHEMBL8325158 0.75 TAAR1 (0.44) SMPD2ALDH1A1LMNAF2MAPT
SCHEMBL6707342 0.75 SMPD2 (0.43) SMPD2MTNR1AMTNR1BALDH1A1LMNA
SCHEMBL3243723 0.75 ALDH1A1 (0.45) SMPD2MTNR1AMTNR1BALDH1A1LMNA
SCHEMBL28231663 0.73 CNR1 (0.46) SMPD2ALDH1A1LMNAF2CHAT
SCHEMBL6709427 0.72 ALDH1A1 (0.50) SMPD2MTNR1AMTNR1BALDH1A1LMNA
SCHEMBL27627249 0.71 ALDH1A1 (0.46) ALDH1A1

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
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed