SCHEMBL7844674

SCHEMBL7844674

Cc1cccc2[nH]cc(C(=O)CN3CCC(n4c(C)nc5cnccc54)CC3)c12

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.49
CYP2D6 P10635 1/20 0.49
MAPK1 P28482 2/20 0.42
UBE2N P61088 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDR P35968 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL7844278 0.92 CCR5 (0.48) CCR5CYP2D6MAPK1UBE2NNPSR1
SCHEMBL7834120 0.90 CYP2D6 (0.46) CCR5CYP2D6MAPK1UBE2NNPSR1
SCHEMBL7846720 0.88 CCR5 (0.46) CCR5CYP2D6MAPK1UBE2NNPSR1
SCHEMBL7848279 0.81 CYP2D6 (0.47) CCR5CYP2D6
SCHEMBL7835818 0.79 MEN1 (0.44) CCR5CYP2D6MAPK1UBE2NNPSR1
SCHEMBL7845147 0.79 CCR5 (0.45) CCR5CYP2D6MAPK1UBE2NNPSR1
SCHEMBL7835611 0.78 CCR5 (0.46) CCR5CYP2D6MAPK1UBE2NNPSR1
SCHEMBL7844160 0.76 CCR5 (0.48) CCR5CYP2D6MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL7841863 0.76 CCR5 (0.48) CCR5CYP2D6MAPK1SMN1; SMN2
SCHEMBL7834484 0.75

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 7 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
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