SCHEMBL9689577

SCHEMBL9689577

CCN(CC)c1ccc(N2CCN(Cc3cc(O)ccc3O)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD4 P21917 1/20 0.40
DRD2 P14416 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 6/20 0.39
GAA P10253 4/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 2/20 0.38
PKM P14618 1/20 0.38
BACE1 P56817 1/20 0.37

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
SCHEMBL9689527 0.87 L3MBTL1 (0.48) LMNAHPGDALOX15DRD4DRD2
SCHEMBL9703381 0.79 LMNA (0.40) LMNAHPGDALOX15GFERDRD4
SCHEMBL9688189 0.72 LMNA (0.40) LMNAHPGDALOX15GFERALDH1A1
SCHEMBL9073129 0.70 PLD1 (0.45) HPGDMEN1GFERKMT2AALDH1A1
SCHEMBL9689529 0.69 CASP1 (0.59) LMNAHPGDALOX15GFERKMT2A
SCHEMBL9704351 0.67 LMNA (0.40) LMNAHPGDALOX15GFERKMT2A
SCHEMBL9688122 0.66 PARP1 (0.44) LMNAHPGDALOX15KMT2ADRD2
SCHEMBL2512526 0.64 LMNA (0.74) LMNAHPGDALOX15GFERALDH1A1
SCHEMBL8800403 0.64 CTSB (0.62) LMNAALOX15GFERKMT2AALDH1A1
SCHEMBL2924987 0.63 LMNA (0.55) LMNAHPGDALOX15MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP claimed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP claimed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO claimed
US-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 US disclosed
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 EP disclosed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP disclosed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO disclosed