SCHEMBL1704375

SCHEMBL1704375

NC(=O)C(=O)NC(CO)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.44
TGFBR1 P36897 1/20 0.43
EPHX1 P07099 2/20 0.42
CHRNA7 P36544 2/20 0.39
DPP4 P27487 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
SCHEMBL892798 0.84 P2RX7 (0.45) P2RX7EPHX1CHRNA7DPP4
SCHEMBL892406 0.84 P2RX7 (0.45) P2RX7EPHX1CHRNA7DPP4
SCHEMBL892407 0.84 P2RX7 (0.45) P2RX7EPHX1CHRNA7DPP4
SCHEMBL25297559 0.79 P2RX7 (0.47) P2RX7EPHX1CHRNA7
SCHEMBL15909256 0.79 P2RX7 (0.47) P2RX7EPHX1CHRNA7
SCHEMBL25297558 0.79 P2RX7 (0.47) P2RX7EPHX1CHRNA7
SCHEMBL892531 0.79 TGFBR1 (0.46) P2RX7TGFBR1CHRNA7
SCHEMBL892867 0.79 TGFBR1 (0.46) P2RX7TGFBR1CHRNA7
SCHEMBL892532 0.79 TGFBR1 (0.46) P2RX7TGFBR1CHRNA7
SCHEMBL31036976 0.75 P2RX7 (0.44) P2RX7EPHX1CHRNA7

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
CN-102803252-A Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases UNIV LEUVEN KATH 2012-11-28 CN disclosed
EP-2440550-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-04-18 EP disclosed