SCHEMBL6636907

SCHEMBL6636907

CCC1CC(Nc2nc3ccccc3[nH]2)CCN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ POLB P06746 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ ITGB3 P05106 1/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL5530096 0.83 CYP1A2 (0.45) KCNH2SMN1; SMN2NPC1RAB9APOLB
SCHEMBL8139051 0.79 SMN1; SMN2 (0.53) KCNH2SMN1; SMN2NPC1RAB9APOLB
SCHEMBL9690986 0.77 SMN1; SMN2 (0.51) KCNH2SMN1; SMN2NPC1RAB9APOLB
SCHEMBL4731396 0.76 KCNH2 (0.40) KCNH2ALDH1A1ITGB3ITGAVMAPK1
Hydrochloric Acid SCHEMBL9382986 0.76 SMN1; SMN2 (0.50) KCNH2SMN1; SMN2NPC1RAB9APOLB
SCHEMBL383139 0.75 NOS2 (0.58) KCNH2SMN1; SMN2LMNAALDH1A1ITGB3
SCHEMBL7416758 0.75 KCNH2 (0.65) KCNH2SMN1; SMN2
SCHEMBL9383756 0.75 NPC1 (0.53) KCNH2SMN1; SMN2NPC1RAB9APOLB
SCHEMBL6780216 0.74 RAB9A (0.55) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL1598711 0.74 RAB9A (0.52) SMN1; SMN2NPC1RAB9APOLBTDP1

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
EP-1400519-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-24 — — EP disclosed
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