SCHEMBL6940926

SCHEMBL6940926

CCCCCn1ncn(-c2ccc(N3CCNCC3)cc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
ADRA1D P25100 1/20 0.45
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CETP P11597 1/20 0.42
ADRB1 P08588 4/20 0.40
HRH4 Q9H3N8 1/20 0.39
PLA2G2A P14555 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3A P46098 2/20 0.38
HTR3D Q70Z44 2/20 0.38

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
SCHEMBL6940234 0.96 ALDH1A1 (0.43) HTR1AADRA1AADRA1BADRA1DMAPT
Hydrochloric Acid SCHEMBL9693076 0.95 ALDH1A1 (0.42) HTR1AADRA1AADRA1BADRA1DMAPT
SCHEMBL6944487 0.91 ALDH1A1 (0.44) HTR1AADRA1AADRA1BADRA1DMAPT
SCHEMBL9666033 0.85 MAPT (0.59) HTR1AADRA1AADRA1BADRA1DMAPT
SCHEMBL15912657 0.84 MAPT (0.58) HTR1AADRA1AADRA1BADRA1DMAPT
SCHEMBL14764640 0.83 MAPT (0.60) HTR1AADRA1AADRA1BADRA1DMAPT
SCHEMBL15912649 0.82 MAPT (0.59) HTR1AADRA1AADRA1BADRA1DMAPT
SCHEMBL9279160 0.81 MAPT (0.60) HTR1AADRA1AADRA1BADRA1DMAPT
SCHEMBL15912699 0.80 MAPT (0.61) HTR1AADRA1AADRA1BADRA1DMAPT
SCHEMBL13114811 0.79 ADRB1 (0.49) MAPTKDM4EGAAALDH1A1LMNA

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