SCHEMBL28045696

SCHEMBL28045696

NCCCC[C@@H]([C]=O)NC(=O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.51
▸ ITGB3 P05106 1/20 0.49
▸ ITGA2B P08514 1/20 0.49
▸ CHRNA1 P02708 2/20 0.47
▸ CHRNG P07510 2/20 0.47
▸ CHRNB1 P11230 2/20 0.47
▸ CHRND Q07001 2/20 0.47
▸ F2 P00734 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ CTSC P53634 2/20 0.45
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ PSMB8 P28062 1/20 0.43
▸ PSMB5 P28074 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ CNR1 P21554 1/20 0.43

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
SCHEMBL9555734 0.86 F2 (0.56) ITGB3ITGA2BF2
SCHEMBL9350149 0.86 CYP3A4 (0.53) PSMB8PSMB5
SCHEMBL9728137 0.84 HTT (0.51) CNR2ITGB3ITGA2B
SCHEMBL8177395 0.81 HRH1 (0.43) F2POLBPSMB5
SCHEMBL8177397 0.81 HRH1 (0.43) F2POLBPSMB5
SCHEMBL9132107 0.80 CTSC (0.60) CTSCMMP2
SCHEMBL2196618 0.80 CTSC (0.60) CTSCMMP2
SCHEMBL10633263 0.80 CTSC (0.60) CTSCMMP2
SCHEMBL9132111 0.80 CTSC (0.60) CTSCMMP2
SCHEMBL7361631 0.80 ITGB3 (0.52) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105175418-B Pentacyclic indole quinolizine for inhibiting autophagy of cells, synthesis, antitumor activity and application thereof 首都医科大学 2020-01-14 — — CN claimed
CN-105175418-A Pentacyclic indole quinolizine inhibiting cell autophagy, synthesis, antitumor activity and application thereof UNIV CAPITAL MEDICAL SCIENCES 2015-12-23 — — CN claimed
CN-105175418-B Pentacyclic indole quinolizine for inhibiting autophagy of cells, synthesis, antitumor activity and application thereof 首都医科大学 2020-01-14 — — CN disclosed
CN-105175418-A Pentacyclic indole quinolizine inhibiting cell autophagy, synthesis, antitumor activity and application thereof UNIV CAPITAL MEDICAL SCIENCES 2015-12-23 — — CN disclosed
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