SCHEMBL28867516

SCHEMBL28867516

Nc1ccccc1N1CCN(CC2CCOC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
ADRA2C P18825 3/20 0.45
KEAP1 Q14145 1/20 0.44
NAMPT P43490 1/20 0.42
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
ADRA2A P08913 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TACR2 P21452 1/20 0.37
ADRA2B P18089 1/20 0.37

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
SCHEMBL17630602 0.89 ADRA2C (0.50) MEN1USP2GAAKMT2AADRA2C
SCHEMBL23536135 0.81 MEN1 (0.53) MEN1USP2GAAKMT2AADRA2C
SCHEMBL29948611 0.80 HTT (0.48) KMT2ANAMPTHTR1ADRD2
SCHEMBL23536471 0.80 HTT (0.48) KMT2ANAMPTHTR1ADRD2
Hydrochloric Acid SCHEMBL4859961 0.75 HTR1A (0.39) ADRA2CNAMPTHTR1AADRA1DADRA1A
SCHEMBL18046131 0.74 NAMPT (0.43) ADRA2CNAMPTHTR1AADRA1DADRA1A
SCHEMBL18046134 0.74 NAMPT (0.43) ADRA2CNAMPTHTR1AADRA1DADRA1A
SCHEMBL23124204 0.73 DRD2 (0.43) MEN1USP2GAAKMT2AADRA2C
SCHEMBL22542103 0.72 EBP (0.48) MEN1GAAKMT2AADRA2CHTR1A
SCHEMBL23152040 0.72 ADRA2C (0.79) MEN1USP2GAAKMT2AADRA2C

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-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed