SCHEMBL6940921

SCHEMBL6940921

CCC(CC)n1ncn(-c2ccc(N3CCNCC3)cc2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
DGAT1 O75907 5/20 0.45
ADRB1 P08588 6/20 0.42
HTR3E A5X5Y0 3/20 0.39
HTR3B O95264 3/20 0.39
HTR3A P46098 3/20 0.39
HTR3D Q70Z44 3/20 0.39
HTR3C Q8WXA8 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
ADRB2 P07550 1/20 0.39
NCF1 P14598 1/20 0.39
PLD1 Q13393 1/20 0.39
SIRT6 Q8N6T7 1/20 0.38
OPRL1 P41146 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
SCHEMBL6940227 0.89 MAPT (0.74) MAPTKDM4EALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL9120617 0.88 MAPT (0.72) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL6941180 0.85 ALDH1A1 (0.55) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL14765200 0.85 MAPT (0.80) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL20639894 0.85 MAPT (0.61) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL23354985 0.85 MAPT (0.61) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL31618939 0.84 ALDH1A1 (0.58) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL14764652 0.82 MAPT (0.80) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL25160241 0.79 SMN1; SMN2 (0.50) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL13114776 0.79 ROCK2 (0.59) MAPTKDM4EALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889881-B1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS NAEJA PHARMACEUTICAL INC (CA) 2003-04-23 EP claimed
EP-0889881-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES INC. (CA) 1999-01-13 EP claimed
WO-1998031675-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES, INC. (US) 1998-07-23 WO claimed