SCHEMBL8380868

SCHEMBL8380868

CCCC1CCC(c2ccc(-c3ccc(C#N)cc3)cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
HSD11B1 P28845 2/20 0.41
OPRL1 P41146 9/20 0.40
HRH3 Q9Y5N1 3/20 0.39
DGAT1 O75907 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM1A O60341 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
SCHEMBL7511831 0.90 OPRL1 (0.43) OPRL1TSHR
SCHEMBL8448522 0.90 OPRL1 (0.43) OPRL1TSHR
SCHEMBL7513111 0.86 OPRL1 (0.41) OPRL1TSHR
SCHEMBL8931253 0.85 OPRL1 (0.50) OPRL1DGAT1
SCHEMBL8931254 0.85 OPRL1 (0.50) OPRL1DGAT1
SCHEMBL10648240 0.85 MAOA (0.39) OPRL1HRH3TSHRHSD17B10
SCHEMBL10648245 0.85 MAOA (0.39) OPRL1HRH3TSHRHSD17B10
SCHEMBL30767887 0.84 OPRL1 (0.43) OPRL1DGAT1
SCHEMBL4650777 0.84 CYP2C9 (0.48) OPRL1DGAT1
SCHEMBL29186355 0.84 OPRL1 (0.43) OPRL1DGAT1

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-5958290-A ELECTROOPTICAL APPARATUS WITH DIELECTRIC LIQUID CRYSTALS FOR RADIATION TRANSPARENT MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-09-28 US disclosed
US-5344587-A Nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-06 US disclosed