SCHEMBL31455250

SCHEMBL31455250

CC1(c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)CNC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
TSHR P16473 3/20 0.46
CYP2D6 P10635 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
PDE6A P16499 1/20 0.43
ADRA2C P18825 1/20 0.43
MC4R P32245 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
MC3R P41968 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4D Q08499 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL2329572 0.81 CYP2C19 (0.53) CYP2C19TSHRCYP2D6LMNACYP1A2
SCHEMBL31455157 0.77 CYP2C19 (0.47) CYP2C19TSHRCYP2D6LMNACYP1A2
SCHEMBL16488091 0.75 HTR2A (0.45) LMNAOPRM1SLC6A3
SCHEMBL2960872 0.75 CYP2C19 (0.78) CYP2C19TSHRCYP2D6LMNACYP1A2
Hydrochloric Acid SCHEMBL23887402 0.73 HTR2A (0.43) OPRM1SLC6A3
SCHEMBL3235304 0.72 CYP2C19 (0.53) CYP2C19TSHRCYP2D6LMNACYP1A2
SCHEMBL10776342 0.71 CYP2C19 (0.51) CYP2C19TSHRCYP2D6LMNACYP1A2
SCHEMBL43183 0.71 TSHR (0.74) CYP2C19TSHRCYP2D6LMNACYP1A2
SCHEMBL2324699 0.71 CYP2C19 (0.51) CYP2C19TSHRCYP2D6LMNACYP1A2
SCHEMBL11136763 0.70 CYP2C19 (1.00) CYP2C19TSHRCYP2D6LMNACYP1A2

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
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed