SCHEMBL8562406

SCHEMBL8562406

O=C(O)CCc1ccc(C2CNC(=O)N2c2ccc3c(c2)CCNCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
QPCT Q16769 9/20 0.38
QPCTL Q9NXS2 1/20 0.36
PARP1 P09874 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
MCHR1 Q99705 2/20 0.35
ACHE P22303 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
SCHEMBL8557055 0.94 ITGB3 (0.38) HTR6RXRARXRBRXRGQPCT
Hydrochloric Acid SCHEMBL8564105 0.93 TBXAS1 (0.38) HTR6RXRARXRBRXRGQPCT
Hydrochloric Acid SCHEMBL8566893 0.90 HTR6 (0.38) HTR6RXRARXRBRXRGPPARD
SCHEMBL8559860 0.89 PARP1 (0.39) RXRARXRBRXRGQPCTQPCTL
Hydrochloric Acid SCHEMBL8564483 0.89 HTR6 (0.40) HTR6RXRARXRBRXRGQPCT
Hydrochloric Acid SCHEMBL8559313 0.88 HTR6 (0.41) HTR6QPCTPARP1MCHR1ACHE
SCHEMBL8560495 0.88 HTR6 (0.43) HTR6RXRARXRBRXRGQPCT
Hydrochloric Acid SCHEMBL8563477 0.88 PARP1 (0.38) RXRARXRBRXRGQPCTQPCTL
SCHEMBL8559323 0.86 PARP1 (0.37) RXRARXRBRXRGQPCTQPCTL
Hydrochloric Acid SCHEMBL8565143 0.85 QPCT (0.37) RXRARXRBRXRGQPCTQPCTL

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
US-5827849-A HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT KARL THOMAE GMBH (DE) 1998-10-27 US disclosed