SCHEMBL9733792

SCHEMBL9733792

CC1(C)Cc2ccc(C#N)cc2C(Oc2ccc(=O)[nH]n2)C1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
ABCC9 O60706 10/20 0.36
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
KCNJ8 Q15842 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
LTK P29376 1/20 0.34

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
SCHEMBL9733503 0.82 ABCC9 (0.38) CNR2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7327762 0.82 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9734651 0.78 CNR2 (0.38) CNR2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9733529 0.78 ABCC9 (0.41) CNR2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9735910 0.78 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9738782 0.78 CNR2 (0.37) CNR2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9733302 0.73 ABCC9 (0.38) CNR2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7331735 0.71 ABCB1 (0.39) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7334723 0.69 ABCC9 (0.54) ABCC9CYP1A2CYP2D6CYP2C19ABCB1
SCHEMBL1573018 0.69 CYP11B1 (0.49) CNR2ABCC9ABCC8KCNJ11KCNJ8

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-5132307-A TETRALIN COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-21 US disclosed
EP-0368160-A1 Tetralin derivatives MERCK PATENT GmbH (DE) 1990-05-16 EP disclosed