SCHEMBL11708255

SCHEMBL11708255

Clc1ccc2c(c1)nc(Cc1ccccc1)n2CCCN1CC[CH]CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.47
▸ NPY1R P25929 1/20 0.46
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HDAC1 Q13547 3/20 0.43
▸ HTR3E A5X5Y0 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43
▸ BACE1 P56817 2/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NUDT1 P36639 1/20 0.40

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
Hydrochloric Acid SCHEMBL11193713 0.83 P2RX7 (0.51) MAPTKDM4ELMNAHTR2C
SCHEMBL11202328 0.83 KDM4E (0.53) MAPTKDM4EJAK2JAK1TYK2
SCHEMBL11194179 0.82 KDM4E (0.61) MAPTKDM4EJAK2JAK1TYK2
SCHEMBL11713201 0.74 JAK2 (0.46) NPY1RJAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL11195502 0.72 P2RX7 (0.54) MAPTLMNAHTR2CTDP1
SCHEMBL7690760 0.70 NPY1R (0.80) NPY1R
SCHEMBL24549320 0.69 TDP1 (0.61) KDM4ELMNATDP1
Hydrochloric Acid SCHEMBL11201456 0.69 P2RX7 (0.65) MAPTLMNAHTR2C
SCHEMBL11199073 0.68 LMNA (0.70) MAPTJAK2JAK1TYK2JAK3
SCHEMBL11713594 0.68 BACE1 (0.64) BACE1NUDT1

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-4035369-A 1-Benzazolylalkyl-4-substituted-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1977-07-12 — — US disclosed
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