SCHEMBL28113739

SCHEMBL28113739

N#Cc1ccc(CN2CCC(c3cccs3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
PRKAA2 P54646 1/20 0.47
OPRM1 P35372 1/20 0.46
THRB P10828 1/20 0.46
USP2 O75604 1/20 0.46
JAK2 O60674 3/20 0.45
JAK1 P23458 3/20 0.45
JAK3 P52333 3/20 0.45
TYK2 P29597 2/20 0.45
CCR2 P41597 1/20 0.43
FAAH O00519 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL417065 0.78 JAK2 (0.47) HRH3PRKAA2OPRM1THRBUSP2
SCHEMBL23951352 0.77 ACHE (0.49) MEN1KMT2ACYP2D6ACHE
SCHEMBL7238995 0.76 HRH3 (0.65) HRH3OPRM1THRBCCR2MEN1
SCHEMBL28024576 0.75 KCNJ1 (0.66) HRH3USP2CCR2FAAHMEN1
SCHEMBL20804360 0.75 KCNJ1 (0.66) HRH3USP2CCR2FAAHMEN1
SCHEMBL647375 0.75 HRH3 (0.57) HRH3PRKAA2OPRM1THRBUSP2
SCHEMBL70021 0.75 HRH3 (0.56) HRH3PRKAA2OPRM1THRBUSP2
SCHEMBL14375216 0.75 HRH3 (0.67) HRH3PRKAA2OPRM1THRBUSP2
Hydrochloric Acid SCHEMBL10625447 0.75 HRH3 (0.64) HRH3OPRM1THRBMEN1KMT2A
SCHEMBL14163064 0.75 HTT (0.42) HRH3TSHRSMN1; SMN2

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
CN-106928211-A Benzamide compound for treating dysbolism 里格尔药品股份有限公司 2017-07-07 CN disclosed
CN-104016980-B For treating the benzamide compound of dysbolismus 里格尔药品股份有限公司 2016-12-07 CN disclosed