SCHEMBL7862039

SCHEMBL7862039

CC(c1cccc(O)c1C(C)N(C)C)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C9 P11712 1/20 0.44
GABRA1 P14867 3/20 0.43
GABRB2 P47870 2/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
CYP3A4 P08684 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
FAAH O00519 1/20 0.40
CYP1A2 P05177 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
SCHEMBL2367079 0.82 MEN1 (0.38) MAPTMEN1KMT2ACYP2C9GABRA1
SCHEMBL36796 0.81 GABRA1 (0.60) MAPTMEN1KMT2ACYP2C9GABRA1
SCHEMBL7530222 0.76 MEN1 (0.41) MAPTMEN1KMT2ACYP2C9GABRA1
SCHEMBL10490575 0.76 TSHR (0.44) GABRA1GABRB2CA1CA2LMNA
SCHEMBL9173807 0.73 MEN1 (0.42) MAPTMEN1KMT2ACYP2C9GABRA1
SCHEMBL18860638 0.72 HTR2A (0.37) MAPTMEN1KMT2ACYP2C9GABRA1
SCHEMBL478223 0.70 GABRA1 (0.62) MAPTKMT2AGABRA1GABRB2CA1
SCHEMBL30521988 0.70 GABRA1 (0.62) MAPTKMT2AGABRA1GABRB2CA1
SCHEMBL27461109 0.68 TSHR (0.44) MAPTMEN1KMT2ACYP2C9GABRA1
SCHEMBL12995993 0.68 GABRA1 (0.60) MAPTMEN1KMT2ACYP2C9GABRA1

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
WO-2021039648-A1 COMPOSITION 株式会社日本触媒 2021-03-04 WO disclosed
EP-1151853-A1 EASILY DELAMINATABLE LAMINATE AND RESIN COMPOSITION FOR USE THEREIN Sumitomo Chemical Company, Limited (JP) 2001-11-07 EP disclosed
EP-0003479-B1 HARDENING AGENTS AND PROCESS FOR PREPARING EPOXY RESIN POLYADDUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1981-09-16 EP disclosed