SCHEMBL27304592

SCHEMBL27304592

CCCc1cccc(C)c1C=N

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
TSHR P16473 1/20 0.35
GRM5 P41594 1/20 0.33
DAO P14920 1/20 0.32
MAPT P10636 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 0.30
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10971364 0.84 GABRA1 (0.41) TAAR1ESR1GABRA1GABRB2KMT2A
SCHEMBL10970128 0.76 CYP2A6 (0.43) TSHRCYP1A2CYP2A6
SCHEMBL4422344 0.75 TSHR (0.35) TAAR1TSHRGRM5ESR1ESR2
SCHEMBL599914 0.74 ESR1 (0.44) TAAR1TSHRGRM5DAOMAPT
SCHEMBL29407427 0.74 ESR1 (0.44) TAAR1TSHRGRM5DAOMAPT
SCHEMBL29249201 0.74 GABRA1 (0.37) GRM5DAOGABRA1GABRB2
SCHEMBL6284367 0.74 TAAR1 (0.39) TAAR1TSHRDAOMAPTESR1
SCHEMBL12802671 0.73 DAO (0.36) GRM5DAOGABRA1GABRB2
SCHEMBL14877332 0.73 TAAR1 (0.46) TAAR1TSHRGRM5DAOESR1
SCHEMBL18243446 0.73 DAO (0.36) GRM5DAOGABRA1GABRB2

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-2024054661-A2 DYNAMIN ACTIVATORS WALDEN BIOSCIENCES (US) 2024-03-14 WO disclosed