SCHEMBL5190760

SCHEMBL5190760

COc1ccc(CN2CCN(C(=O)NC3CCCCC3)CC2CC(N)=O)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 4/20 0.48
PDE5A O76074 3/20 0.43
MAPK1 P28482 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.41
EPHX1 P07099 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL5190656 0.93 KMT2A (0.53) ALDH1A1KMT2AMAPK1POLBRECQL
SCHEMBL5192869 0.85 OPRK1 (0.46) KMT2AMAPK1TDP1MEN1
SCHEMBL5191068 0.84 LMNA (0.44) ALDH1A1KMT2AMAPK1POLBMEN1
SCHEMBL5278583 0.84 LMNA (0.44) ALDH1A1MAPK1POLBGFER
SCHEMBL5193992 0.80 SMN1; SMN2 (0.48) ALDH1A1KMT2ATDP1MEN1MAPT
SCHEMBL5193163 0.77 SMN1; SMN2 (0.44) ALDH1A1KMT2AMAPK1POLBMEN1
SCHEMBL5213600 0.76 ALDH1A1 (0.51) ALDH1A1KMT2APOLBMEN1EPHX1
SCHEMBL5207365 0.75 LMNA (0.41) ALDH1A1KMT2AMAPK1POLBMEN1
SCHEMBL5190692 0.74 ALDH1A1 (0.48) ALDH1A1KMT2AMAPK1
SCHEMBL5190763 0.73 RXFP1 (0.46) ALDH1A1KMT2APDE5ARXFP1POLB

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-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP disclosed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP disclosed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO disclosed