SCHEMBL7338080

SCHEMBL7338080

Cc1sc2ncc(C(O)CCCc3ccccc3)n2c1C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.42
FAAH O00519 6/20 0.39
CES1 P23141 2/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7335512 0.94 DCTPP1 (0.43) DCTPP1FAAHNPC1RAB9ASMN1; SMN2
SCHEMBL7897455 0.87 DCTPP1 (0.46) DCTPP1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL7332307 0.80 DCTPP1 (0.49) DCTPP1SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL7337755 0.77 KDM4E (0.51) FAAHNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7330585 0.73 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7330150 0.73 DCTPP1 (0.43) DCTPP1FAAHCES1NPC1RAB9A
SCHEMBL7337608 0.73 RAB9A (0.43) FAAHNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7330788 0.73 NPC1 (0.42) NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7337801 0.72 DCTPP1 (0.40) DCTPP1FAAHCES1NPC1RAB9A
SCHEMBL7339811 0.71 DCTPP1 (0.43) DCTPP1NPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191124-B1 VIRICIDES PHARMACIA & UPJOHN COMPANY 2001-02-20 US claimed
EP-0757692-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-12 EP claimed
WO-1995029922-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-09 WO claimed
US-6191124-B1 VIRICIDES PHARMACIA & UPJOHN COMPANY 2001-02-20 US disclosed
EP-0757692-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-12 EP disclosed
WO-1995029922-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-09 WO disclosed