SCHEMBL8524224

SCHEMBL8524224

C#Cn1c(-c2ccccc2SC)c(CCN2CCCC2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 2/20 0.38
▸ HTR2A P28223 3/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HRH3 Q9Y5N1 4/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ HTR4 Q13639 1/20 0.31

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
SCHEMBL8524219 0.80 ACP1 (0.34) MTNR1AMTNR1B
SCHEMBL8524763 0.72 NPY1R (0.37) NPY1RHTR2AHTR2CDRD2SLC6A3
SCHEMBL3244758 0.67 MTNR1A (0.57) HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL3253551 0.66 MTNR1A (0.56) NPY1RHTR2AHTR2CDRD2MTNR1A
SCHEMBL8524221 0.66 TAAR1 (0.31) SLC6A3
SCHEMBL3248497 0.61 MTNR1A (0.59) MTNR1AMTNR1B
SCHEMBL11161666 0.58 NPY1R (0.41) NPY1RHTR2AHTR2CDRD2SLC6A3
SCHEMBL11171282 0.58 HRH3 (0.44) NPY1RHTR2AHTR2CDRD2SLC6A3
SCHEMBL1537773 0.57 GPR3 (0.46) —
SCHEMBL11166862 0.57 HRH3 (0.46) NPY1RHTR2AHTR2CDRD2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5856510-A SELECTIVE FOR 5-HT(1D)-LIKE RECEPTORS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1999-01-05 — — US disclosed
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