SCHEMBL21077927

SCHEMBL21077927

CC1(C)CN(C(=O)C2CCN(I)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.44
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GRM5 P41594 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
KEAP1 Q14145 1/20 0.34

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
SCHEMBL21324795 0.84 HSD11B1 (0.53) HSD11B1ALDH1A1HPGDTSHRGRM5
SCHEMBL16565524 0.83 HTT (0.49) HSD11B1ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL25810400 0.80 HSD11B1 (0.66) HSD11B1ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL17886610 0.79 HSD11B1 (0.42) HSD11B1ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL14301397 0.76 HPGD (0.68) ALDH1A1HPGDTSHRSMN1; SMN2CHRNB2
SCHEMBL24003553 0.76 LMNA (0.40) HSD11B1ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL24746586 0.76 HTT (0.62) HSD11B1ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL24003647 0.76 SMN1; SMN2 (0.46) HSD11B1ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL21078025 0.76 CHRNB2 (0.52) HSD11B1ALDH1A1HPGDTSHRCHRNB2
SCHEMBL17177244 0.75 GRM5 (0.49) HSD11B1ALDH1A1HPGDTSHRGRM5

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
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed