SCHEMBL14200641

SCHEMBL14200641

CCCc1ccnc(N(CCC(C)(C)C)C(CC)CC)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL14200706 0.92 KCNH2 (0.33) LMNA
SCHEMBL14200662 0.91 ACACB (0.30) ACACB
SCHEMBL14229495 0.90
SCHEMBL14200617 0.89
SCHEMBL14200712 0.88 CRHR1 (0.30)
SCHEMBL14200640 0.88 ACACB (0.32) ACACB
SCHEMBL14229371 0.85 KCNH2 (0.33) KDM4ELMNACYP3A4TSHR
SCHEMBL14200633 0.84 ACACB (0.31) ACACB
SCHEMBL14200740 0.83 KCNH2 (0.32)
SCHEMBL14200742 0.83 KCNH2 (0.32)

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
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed