SCHEMBL6913465

SCHEMBL6913465

CC(=O)c1cccc(CN(CC=CC#CC(C)(C)C)C2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SQLE Q14534 14/20 0.42
▸ LMNA P02545 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL6913461 1.00 SQLE (0.42) SQLELMNAADRA2ACYP2D6SLC6A2
SCHEMBL6907045 0.90 SQLE (0.42) SQLELMNAADRA2ACYP2D6SLC6A2
SCHEMBL6907040 0.90 SQLE (0.42) SQLELMNAADRA2ACYP2D6SLC6A2
Hydrochloric Acid SCHEMBL6916207 0.89 SQLE (0.41) SQLELMNAADRA2ACYP2D6SLC6A2
Hydrochloric Acid SCHEMBL6916196 0.89 SQLE (0.41) SQLELMNAADRA2ACYP2D6SLC6A2
SCHEMBL6910987 0.84 SQLE (0.52) SQLELMNAADRA2ACYP2D6SLC6A2
SCHEMBL6907052 0.84 SQLE (0.52) SQLELMNAADRA2ACYP2D6SLC6A2
SCHEMBL6907049 0.84 SQLE (0.52) SQLELMNAADRA2ACYP2D6SLC6A2
SCHEMBL6915759 0.83 SQLE (0.44) SQLELMNAADRA2ACYP2D6SLC6A2
SCHEMBL6915765 0.83 SQLE (0.44) SQLELMNAADRA2ACYP2D6SLC6A2

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-1112998-B1 AMINE DERIVATIVES POLA CHEM IND INC (JP) 2004-12-08 — — EP disclosed
US-6586633-B1 Antifungal agents POLA CHEMICAL INDUSTRIES, INC. (JP) 2003-07-01 — — US disclosed
EP-1112998-A1 AMINE DERIVATIVES POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-07-04 — — EP disclosed
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