SCHEMBL4770194

SCHEMBL4770194

CCCCCCC1=[N+](Cc2ccc(OC)cc2)CCc2cc(OC)c(OC)cc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
HTR2A P28223 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
P2RX7 Q99572 2/20 0.38
ABCB1 P08183 2/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ABCC1 P33527 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL4770542 1.00 ACHE (0.46) ACHEHTR2AALDH1A1LMNAP2RX7
Hydrochloric Acid SCHEMBL4104174 0.99 ACHE (0.46) ACHEHTR2AALDH1A1LMNAP2RX7
Hydrochloric Acid SCHEMBL4113694 0.99 ACHE (0.46) ACHEHTR2AALDH1A1LMNAP2RX7
Hydrochloric Acid SCHEMBL4097795 0.99 ACHE (0.46) ACHEHTR2AALDH1A1LMNAP2RX7
SCHEMBL4771786 0.99 ACHE (0.47) ACHEHTR2AALDH1A1LMNAP2RX7
Hydrochloric Acid SCHEMBL4105804 0.98 ACHE (0.46) ACHEHTR2AALDH1A1LMNAP2RX7
Hydrochloric Acid SCHEMBL4108766 0.90 ACHE (0.46) ACHEP2RX7ABCB1PPARGPPARA
Hydrochloric Acid SCHEMBL4097852 0.90 ACHE (0.46) ACHEP2RX7ABCB1PPARGPPARA
Hydrochloric Acid SCHEMBL4109315 0.90 ACHE (0.46) ACHEP2RX7ABCB1PPARGPPARA
SCHEMBL4762868 0.90 ACHE (0.46) ACHELMNAP2RX7ABCB1PPARG

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-1896419-A1 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES HANWHA CHEMICAL CORPORATION (KR) 2008-03-12 EP disclosed
WO-2006129978-A1 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES HANWHA CHEMICAL CORPORATION (KR) 2006-12-07 WO disclosed