SCHEMBL30608334

SCHEMBL30608334

CC1CC(c2ccc(Br)cc2)CCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM1A O60341 5/20 0.38
KCNH2 Q12809 2/20 0.38
MAOB P27338 2/20 0.38
RCOR1 Q9UKL0 2/20 0.38
KDM1B Q8NB78 1/20 0.38
P2RY14 Q15391 1/20 0.38
BRD4 O60885 1/20 0.38
HTR2C P28335 2/20 0.37
TSHR P16473 1/20 0.35
ADRA2A P08913 1/20 0.35
PNMT P11086 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7121523 0.83 PLG (0.42) PLGMAPTKDM1AP2RY14HTR2C
SCHEMBL7121518 0.83 PLG (0.42) PLGMAPTKDM1AP2RY14HTR2C
SCHEMBL7121516 0.83 PLG (0.42) PLGMAPTKDM1AP2RY14HTR2C
SCHEMBL13161383 0.81 HTR3A (0.55) PLGP2RY14HTR2C
SCHEMBL5011948 0.81 SLC18A3 (0.55) PLGSMN1; SMN2P2RY14
Hydrochloric Acid SCHEMBL2159262 0.80 HTR3A (0.53) PLGP2RY14HTR2C
SCHEMBL23873227 0.79 HTR2C (0.46) PLGP2RY14HTR2C
SCHEMBL12488729 0.79 KCNH2 (0.46) PLGKCNH2P2RY14HTR2C
SCHEMBL23858275 0.79 HTR2C (0.64) PLGKDM1AP2RY14HTR2C
SCHEMBL18618469 0.79 KDM1A (0.44) PLGSMN1; SMN2KDM1AMAOBHTR2C

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-116964034-A Heterocyclic ring P2Y 14 Receptor antagonists 美国卫生和人力服务部 2023-10-27 CN disclosed