SCHEMBL7320366

SCHEMBL7320366

CN(C)c1ccc(-n2nnnc2CCCOc2cccc3[nH]c(=O)ccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.35
PTGS2 P35354 2/20 0.34
MAPT P10636 4/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MCL1 Q07820 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33
ALB P02768 1/20 0.33
BCL2 P10415 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
NLRP3 Q96P20 1/20 0.32
P2RX4 Q99571 1/20 0.32

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
SCHEMBL7308723 0.88 PKM (0.43) ALDH1A1MCL1SMN1; SMN2NPC1LMNA
SCHEMBL7312759 0.84 ALDH1A1 (0.37) ALDH1A1MCL1ALBBCL2PKM
SCHEMBL7315475 0.77 PKM (0.44) ALDH1A1KDM4ESMN1; SMN2LMNARAB9A
SCHEMBL7312087 0.75 MCL1 (0.39) MAPTALDH1A1MCL1KDM4ELMNA
SCHEMBL7317051 0.74 PDE3B (0.50) ADORA3MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL7316056 0.72 PDE3B (0.41) ADORA3MAPTALDH1A1MCL1KDM4E
SCHEMBL7316412 0.72 MCL1 (0.34) MAPTALDH1A1MCL1KDM4ESMN1; SMN2
SCHEMBL7316415 0.72 MCL1 (0.36) ALDH1A1MCL1KDM4EALBBCL2
SCHEMBL7311127 0.72 ALDH1A1 (0.43) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL7315852 0.71 PDE3B (0.54) ADORA3MAPTALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4277479-A ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed