SCHEMBL7844397

SCHEMBL7844397

Cc1nc2cnccc2n1C1CCN(S(=O)(=O)c2cn(C(=O)OC(C)(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 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
SCHEMBL7842644 0.88 CNR2 (0.37)
SCHEMBL7847850 0.88 HTT (0.46) HTT
SCHEMBL9054223 0.88 HTT (0.42) HTTLMNASMN1; SMN2PKM
Hydrochloric Acid SCHEMBL7848836 0.87 HTT (0.45) HTT
SCHEMBL7847305 0.87 HTT (0.46) HTTLMNAMAPK1SMN1; SMN2PKM
SCHEMBL7835077 0.85 HTT (0.43) HTTLMNAMAPK1SMN1; SMN2
SCHEMBL7844596 0.80 HTT (0.48) HTTLMNAMAPK1SMN1; SMN2
SCHEMBL7842338 0.77
SCHEMBL7849083 0.75 PTGER4 (0.40)
SCHEMBL13743001 0.75 CCR5 (0.50) LMNAGPR119MAPK1SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821685-B1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LAB (US) 2001-10-04 EP claimed
US-5567711-A Indole-3-carbonyl and indole-3-sulfonyl derivatives as platelet activating factor antagonists ABBOTT LABORATORIES (US) 1996-10-22 US claimed
EP-0821685-B1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LAB (US) 2001-10-04 EP disclosed
WO-1996033196-A1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1996-10-24 WO disclosed
US-5567711-A Indole-3-carbonyl and indole-3-sulfonyl derivatives as platelet activating factor antagonists ABBOTT LABORATORIES (US) 1996-10-22 US disclosed