SCHEMBL8243402

SCHEMBL8243402

COc1cc(NC2CCNCC2)c(N)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 4/20 0.51
▸ GAA P10253 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ HTR2A P28223 5/20 0.40
▸ HTR2C P28335 5/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ DDR1 Q08345 2/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ HTR3A P46098 1/20 0.38
▸ HTR2B P41595 4/20 0.38
▸ EHMT2 Q96KQ7 1/20 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
SCHEMBL8234393 0.78 CD44 (0.43) HTR4ALDH1A1
SCHEMBL6154542 0.76 HTR4 (0.58) HTR4ALDH1A1HTTDRD4DDR1
Hydrochloric Acid SCHEMBL6154062 0.75 HTR4 (0.57) HTR4ALDH1A1HTTDRD4DDR1
SCHEMBL4646693 0.73 ALDH1A1 (0.54) ALDH1A1HTTNPC1NSD2EHMT2
SCHEMBL18970134 0.72 HTR4 (0.45) HTR4ALDH1A1HTR2CTSHRNSD2
SCHEMBL22725031 0.72 IKBKB (0.42) GAAALDH1A1HTR2AHTR2CTSHR
SCHEMBL1673520 0.70 HTR2C (0.54) ALDH1A1HTR2C
SCHEMBL4965097 0.70 BRD4 (0.41) HTR4ALDH1A1
SCHEMBL7053215 0.70 CYP1A2 (0.47) ALDH1A1HTR2CDDR1
SCHEMBL92047 0.69 GAA (1.00) GAAALDH1A1HTTNPC1TSHR

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
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 — — WO disclosed
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