SCHEMBL8077003

SCHEMBL8077003

CC1(C)Oc2ccc(C#N)cc2C(Oc2ccnnc2)C1(C)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 9/20 0.39
ABCC9 O60706 7/20 0.39
KDM4E B2RXH2 1/20 0.38
ABCC8 Q09428 2/20 0.37
KCNJ11 Q14654 2/20 0.37
KCNJ8 Q15842 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7326400 0.88 ABCC9 (0.43) ABCB1ABCC9KDM4E
SCHEMBL7325020 0.86 ABCC9 (0.44) ABCB1ABCC9KDM4E
SCHEMBL7325525 0.85 ABCB1 (0.39) ABCB1ABCC9KDM4E
SCHEMBL8088871 0.84 ABCC9 (0.38) ABCB1ABCC9KDM4E
SCHEMBL7329956 0.83 ABCB1 (0.38) ABCB1ABCC9KDM4E
SCHEMBL7331068 0.82 ABCB1 (0.38) ABCB1ABCC9KDM4E
SCHEMBL7332374 0.80 ABCB1 (0.39) ABCB1ABCC9KDM4E
SCHEMBL7328970 0.80 ABCC9 (0.42) ABCB1ABCC9KDM4E
SCHEMBL8076984 0.80 ABCC9 (0.56) ABCB1ABCC9KDM4EABCC8KCNJ11
SCHEMBL10519818 0.79 ABCC9 (0.44) ABCB1ABCC9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed