Sugi Predict

Sugi Predict / Compounds / SCHEMBL6964092

SCHEMBL6964092

SCHEMBL6964092

OC(CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1cc2ccc(F)cc2s1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 15/20 0.38
▸ TRPA1 O75762 2/20 0.34
▸ DRD1 P21728 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ ENPP2 Q13822 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
SCHEMBL6958792 0.92 SIRT2 (0.38) SIRT2DRD1SLC6A2SLC6A4SLC6A3
SCHEMBL6963779 0.79 SIRT2 (0.39) SIRT2
SCHEMBL7084465 0.75 SIRT2 (0.44) SIRT2
SCHEMBL6963554 0.72 SIRT2 (0.38) SIRT2
SCHEMBL1037984 0.71 SIRT2 (0.40) SIRT2
SCHEMBL8979144 0.69 SIRT2 (0.42) SIRT2SLC6A4
SCHEMBL7974401 0.68 SIRT2 (0.43) SIRT2DRD1
SCHEMBL6960303 0.68 SIRT2 (0.39) SIRT2
SCHEMBL1041048 0.67 SIRT2 (0.49) SIRT2ENPP2
SCHEMBL24174709 0.66 TRPA1 (0.36) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974584-B1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-15 — — EP disclosed
US-6420375-B1 ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 — — US disclosed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 — — EP disclosed