SCHEMBL14256232

SCHEMBL14256232

Brc1ccccc1COC1CCCNC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.52
CHRNA4 P43681 3/20 0.52
CHRM2 P08172 2/20 0.52
CHRM1 P11229 2/20 0.52
CHRM3 P20309 2/20 0.52
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
SLC6A2 P23975 6/20 0.45
SLC6A4 P31645 4/20 0.45
SLC6A3 Q01959 4/20 0.45
KCNH2 Q12809 4/20 0.45
TACR1 P25103 1/20 0.41
IDO1 P14902 2/20 0.41
HTR1A P08908 1/20 0.39

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
SCHEMBL4920251 0.81 CARM1 (0.56) CARM1PRMT6TACR1IDO1
SCHEMBL3493677 0.78 CHRNB2 (0.69) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL3161073 0.78 CHRNB2 (0.69) CHRNB2CHRNA4CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL31737286 0.77 CHRNB2 (0.68) CHRNB2CHRNA4CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL31737931 0.77 CHRNB2 (0.68) CHRNB2CHRNA4CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL15650466 0.77 CHRNB2 (0.68) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL14256237 0.76 CHRM2 (0.58) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL1001296 0.75 CHRM2 (0.58) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL14027333 0.74 SLC6A4 (0.46) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL4823892 0.74 TACR1 (0.46) CHRNB2CHRNA4CHRM2CHRM1CHRM3

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
US-7338965-B2 3,4-disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines PHARMACIA & UPJOHN COMPANY (US) 2008-03-04 US disclosed
US-7338965-B2 3,4-disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines PHARMACIA & UPJOHN COMPANY (US) 2008-03-04 US disclosed