SCHEMBL18536665

SCHEMBL18536665

C=C(Nc1ccccc1C)[C@H]1CC(C)CCN1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 3/20 0.41
▸ ITGA4 P13612 3/20 0.41
▸ ITGB3 P05106 2/20 0.41
▸ ITGAV P06756 2/20 0.41
▸ ITGA5 P08648 2/20 0.41
▸ CYP2C19 P33261 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ PSMD14 O00487 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SIGMAR1 Q99720 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
SCHEMBL18536568 0.86 NPC1 (0.39) ITGB1ITGA4ITGB3ITGAVITGA5
SCHEMBL18536535 0.69 SIGMAR1 (0.33) ITGB1ITGA4ITGB3ITGAVITGA5
SCHEMBL18536645 0.67 ITGB1 (0.51) ITGB1ITGA4ITGB3ITGAVITGA5
SCHEMBL13433106 0.64 NPC1 (0.61) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL29340598 0.63 ALDH1A1 (0.34) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL22184248 0.63 ALDH1A1 (0.34) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL11125037 0.62 HPGD (0.63) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL13479962 0.62 TDP1 (0.63) MEN1KMT2AKDM4EL3MBTL1TSHR
SCHEMBL12139537 0.61 NPC1 (0.57) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL24732254 0.60 HPGD (0.55) ITGB1ITGB3ITGAVITGA5MAPT

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-2170860-B9 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2017-02-22 — — EP disclosed
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