SCHEMBL7827720

SCHEMBL7827720

[CH]1CCN(c2ccc(C3CCCCCC3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.47
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SLC18A3 Q16572 1/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 2/20 0.38
USP2 O75604 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SLC6A7 Q99884 1/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 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
SCHEMBL30228474 0.80 ALDH1A1 (0.52) THRBHTTLMNASMN1; SMN2L3MBTL1
SCHEMBL7322311 0.80 THRB (0.49) THRBHTTLMNASMN1; SMN2L3MBTL1
SCHEMBL6618068 0.80 ADRB1 (0.52) THRBLMNASMN1; SMN2KCNH2HRH3
SCHEMBL7840859 0.80 ESR2 (0.47) THRBHTTLMNASMN1; SMN2L3MBTL1
Bromide SCHEMBL6539610 0.79 ADRB1 (0.50) THRBLMNASMN1; SMN2KCNH2HRH3
SCHEMBL7827690 0.79 THRB (0.48) THRBHTTLMNASMN1; SMN2HRH3
SCHEMBL23064493 0.78 L3MBTL1 (0.52) THRBHTTLMNASMN1; SMN2L3MBTL1
SCHEMBL23655563 0.76 THRB (0.49) THRBHTTLMNASMN1; SMN2KCNH2
SCHEMBL7333118 0.76 KDM4E (0.56) THRBKCNH2HRH3KDM4ETP53
SCHEMBL6616137 0.76 MAPT (0.56) THRBHTTLMNASMN1; SMN2KCNH2

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-1102762-A2 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER INC. (US) 2001-05-30 EP disclosed
WO-2000008013-A2 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2000-02-17 WO disclosed