SCHEMBL24712995

SCHEMBL24712995

c1ccc(-c2ccc3c4c2CNCc2c(-c5ccccc5)ccc5c2C4(CC3)CC5)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.50
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
CYP3A4 P08684 1/20 0.33
TDP2 O95551 1/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
ANPEP P15144 1/20 0.32
IL1RN P18510 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
HTR2A P28223 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
SCHEMBL24712998 0.91 PRCP (0.42) PRCPPARP10PARP11CYP3A4TDP2
SCHEMBL24712996 0.83 GSTP1 (0.37) PRCP
SCHEMBL24712920 0.81 PRNP (0.36) HTR1AHTR7CYP3A4TDP2
SCHEMBL24712922 0.81 MEN1 (0.33) PRCPPARP10PARP11
SCHEMBL24713002 0.76 MEN1 (0.35)
SCHEMBL24712809 0.74 MAPT (0.36) PRCPCYP3A4
SCHEMBL24712997 0.73 PRCP (0.36) PRCPTDP2
SCHEMBL20374194 0.71 PRCP (0.71) PRCPPARP10PARP11HTR1AHTR7
SCHEMBL24712806 0.70 CD44 (0.41) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL19358085 0.69 PRCP (0.69) PRCPPARP10PARP11HTR1AHTR7

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-2022218391-A1 CHIRAL SPIRO AMMONIUM SALT COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 西湖大学 2022-10-20 WO disclosed