SCHEMBL8396161

SCHEMBL8396161

O=C(NC1CCC1)N1CCCC1

nearest known ligand 0.88

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.88
POLB P06746 4/20 0.61
HSD17B10 Q99714 1/20 0.61
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DPP7 Q9UHL4 1/20 0.51

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
SCHEMBL8393766 0.98 HTT (0.92) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL8391614 0.95 HTT (0.96) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL13380 0.93 HTT (1.00) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL8392088 0.93 HTT (1.00) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL8396675 0.93 HTT (1.00) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL8395096 0.93 HTT (1.00) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL679199 0.93 HTT (1.00) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL5201039 0.93 HTT (0.83) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL4559772 0.91 HTT (0.88) HTTPOLBHSD17B10KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3651038 0.91 HTT (0.80) HTTPOLBHSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3950692-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2022-02-09 EP disclosed
EP-2506716-B1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC (US) 2017-05-17 EP disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed