SCHEMBL7327936

SCHEMBL7327936

O=C(O)C1=CSC=CN1C(=O)CCCCCC1CCc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.41
PREP P48147 15/20 0.39
HTR1A P08908 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
NAMPT P43490 1/20 0.32

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
SCHEMBL7325498 0.96 PREP (0.42) GBA1PREPHTR1ASIGMAR1HDAC3
SCHEMBL7329968 0.88 PREP (0.46) PREPHDAC3HDAC1HDAC10HDAC11
SCHEMBL7324397 0.85 PREP (0.47) PREPHTR1ASIGMAR1
SCHEMBL7328989 0.80 GBA1 (0.36) GBA1PREP
SCHEMBL7327641 0.79 PREP (0.42) PREP
SCHEMBL7322434 0.79 PREP (0.48) PREP
SCHEMBL7359386 0.77 PREP (0.45) PREPNAMPT
SCHEMBL9791373 0.76 PREP (0.46) PREP
SCHEMBL7325825 0.75 P2RX7 (0.40) PREP
SCHEMBL7324555 0.74 HTR1A (0.35) PREPHTR1AHDAC3

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-0372484-B1 Condensed benzene derivative ZERIA PHARM CO LTD (JP) 1994-10-26 EP disclosed
US-5028604-A Cognition Activators ZERIA PHARMACEUTICAL CO., LTD. (JP) 1991-07-02 US disclosed
EP-0372484-A2 Condensed benzene derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 1990-06-13 EP disclosed