SCHEMBL6944688

SCHEMBL6944688

CC(C)CNNC(=O)[C@@](CC(C)C)(C(=O)CC(C)C)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.31
TGFBR1 P36897 1/20 0.30
CTSC P53634 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 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
SCHEMBL7933480 0.91 KDM4E (0.33) TGFBR1
SCHEMBL7933428 0.83 P2RX3 (0.33) P2RX3TGFBR1CTSCCCNA2CDK2
SCHEMBL6944685 0.80 ADAM17 (0.34) P2RX3TGFBR1CTSC
SCHEMBL7819016 0.79 TGFBR1 (0.32) P2RX3TGFBR1CTSC
SCHEMBL6983937 0.79 ADAM17 (0.42) P2RX3TGFBR1CTSCCCNA2CDK2
SCHEMBL7933475 0.77 CTSK (0.32) P2RX3TGFBR1
SCHEMBL7930228 0.77 CTSC (0.33) P2RX3TGFBR1CTSC
SCHEMBL6941960 0.77 ADAM17 (0.33) P2RX3TGFBR1CTSCCCNA2CDK2
SCHEMBL7928806 0.77 P2RX3 (0.34) P2RX3TGFBR1CTSCCCNA2CDK2
SCHEMBL7937958 0.77 P2RX3 (0.31) P2RX3TGFBR1

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
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed