SCHEMBL7844596

SCHEMBL7844596

Cc1nc2cnccc2n1C1CCN(S(=O)(=O)c2c[nH]c3cc(-c4ccc(F)cc4)ccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
CYP2D6 P10635 1/20 0.40
CCR5 P51681 1/20 0.40
TDO2 P48775 4/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7835013 0.87 TDO2 (0.38) CCR5TDO2
SCHEMBL7846061 0.82 SMN1; SMN2 (0.52) HTTSMN1; SMN2MAPK1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7847844 0.82 SMN1; SMN2 (0.51) HTTSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL7847850 0.81 HTT (0.46) HTT
Hydrochloric Acid SCHEMBL7848836 0.81 HTT (0.45) HTT
SCHEMBL7835818 0.80 MEN1 (0.44) CYP2D6CCR5SMN1; SMN2MAPK1KDM4E
SCHEMBL7847305 0.80 HTT (0.46) HTTCYP2D6CCR5LMNASMN1; SMN2
SCHEMBL7844397 0.80 HTT (0.44) HTTLMNASMN1; SMN2MAPK1
SCHEMBL7835077 0.78 HTT (0.43) HTTLMNASMN1; SMN2MAPK1
SCHEMBL9054223 0.77 HTT (0.42) HTTCYP2D6CCR5LMNASMN1; SMN2

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 8 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
EP-0821685-A1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1998-02-04 EP claimed
WO-1996033196-A1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1996-10-24 WO 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
EP-0821685-A1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1998-02-04 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