SCHEMBL25510070

SCHEMBL25510070

CCNC(C)Cc1ccc2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.49
SLC6A4 P31645 3/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL25510170 0.89 SIGMAR1 (0.46) SIGMAR1SLC6A4LMNAMAPTADRA2C
SCHEMBL25515345 0.84 TAAR1 (0.46) SIGMAR1SLC6A4MAPTCYP2D6
SCHEMBL25509953 0.84 TAAR1 (0.46) SIGMAR1SLC6A4MAPTCYP2D6
SCHEMBL25515982 0.77 SLC6A4 (0.42) SIGMAR1SLC6A4HTR2AHTR2B
SCHEMBL25510072 0.75 SLC6A4 (0.37) SLC6A4
SCHEMBL25510071 0.74 HTR2A (0.36) SLC6A4MAPTHTR2A
SCHEMBL7169853 0.74 ALDH1A1 (0.37) MAPTTHRB
SCHEMBL25510168 0.72 TAAR1 (0.43) SIGMAR1SLC6A4CYP2D6
SCHEMBL25175015 0.70
SCHEMBL25509947 0.70 SIGMAR1 (0.54) SIGMAR1SLC6A4LMNAMAPTADRA2C

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-2023081306-A1 INDOLIZINE COMPOUNDS FOR THE TREATMENT OF MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-05-11 WO disclosed