SCHEMBL28901262

SCHEMBL28901262

Cn1c([C@H]2CCCN2)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 1.00
OPRL1 P41146 1/20 0.55
OGFRL1 Q5TC84 1/20 0.55
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
EGFR P00533 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CHRM1 P11229 2/20 0.43
HRH1 P35367 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2B P41595 1/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL29597012 1.00 TAAR1 (1.00) TAAR1OPRL1OGFRL1DDB1CRBN
SCHEMBL2636563 1.00 TAAR1 (1.00) TAAR1OPRL1OGFRL1DDB1CRBN
SCHEMBL28901283 1.00 TAAR1 (1.00) TAAR1OPRL1OGFRL1DDB1CRBN
SCHEMBL29596539 1.00 TAAR1 (1.00) TAAR1OPRL1OGFRL1DDB1CRBN
SCHEMBL31512132 0.96 TAAR1 (0.92) TAAR1OPRL1OGFRL1DDB1CRBN
Hydrochloric Acid SCHEMBL28152220 0.94 TAAR1 (0.89) TAAR1OPRL1OGFRL1DDB1CRBN
Hydrochloric Acid SCHEMBL28334709 0.94 TAAR1 (0.89) TAAR1OPRL1OGFRL1DDB1CRBN
SCHEMBL28138616 0.82 TAAR1 (0.70) TAAR1OPRL1OGFRL1CHRM1HRH1
SCHEMBL12470274 0.82 TAAR1 (0.70) TAAR1OPRL1OGFRL1CHRM1HRH1
SCHEMBL12470273 0.82 TAAR1 (0.70) TAAR1OPRL1OGFRL1CHRM1HRH1

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
CN-114349781-A Chiral pyrrolidine skeleton-containing aminophenoxy zinc complex and preparation method and application thereof 华东理工大学 2022-04-15 CN disclosed