SCHEMBL9047401

SCHEMBL9047401

C#CCCN1CCNCC1c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
PLD1 Q13393 1/20 0.35
HTR7 P34969 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CXCR4 P61073 3/20 0.33
HTR1A P08908 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CHKA P35790 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A4 P31645 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
SCHEMBL8145269 0.83 SIGMAR1 (0.48) SIGMAR1PLD1HTR7L3MBTL1ALDH1A1
SCHEMBL27432858 0.80 SIGMAR1 (0.51) SIGMAR1PLD1HTR2AHTR2CHTR2B
SCHEMBL8134785 0.80 SIGMAR1 (0.42) SIGMAR1PLD1HTR7HTR2AHTR2C
SCHEMBL6190053 0.76 SIGMAR1 (0.43) SIGMAR1PLD1L3MBTL1ALDH1A1KDM4E
SCHEMBL2900748 0.76 PLD1 (0.42) SIGMAR1PLD1HTR7HTR2AHTR2C
SCHEMBL4498844 0.75 SIGMAR1 (0.41) SIGMAR1PLD1HTR7HTR2AHTR2C
SCHEMBL31232802 0.73 PLD1 (0.42) SIGMAR1PLD1HTR7HTR2AHTR2C
SCHEMBL9579077 0.72 SIGMAR1 (0.45) SIGMAR1ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL1964149 0.72 PLD1 (0.40) SIGMAR1PLD1HTR7HTR2AHTR2C
SCHEMBL4563400 0.69 PLD1 (0.40) SIGMAR1PLD1HTR7HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556329-B1 SUBSTITUTED PIPERAZINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER LAMBERT CO (US) 1996-01-10 EP disclosed
US-5270312-A Substituted piperazines as central nervous system agents WARNER-LAMBERT COMPANY (US) 1993-12-14 US disclosed