SCHEMBL30351817

SCHEMBL30351817

O=C1c2c(F)cc(N3C4CCC3CNC4)cc2CN1C1CCCNC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.47
▸ HTR2B P41595 9/20 0.35
▸ HTR2C P28335 8/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ HTR2A P28223 4/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ USP28 Q96RU2 1/20 0.31
▸ USP25 Q9UHP3 1/20 0.31
▸ BMPR1A P36894 1/20 0.31
▸ ACVRL1 P37023 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31

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
SCHEMBL30351699 0.94 PARP1 (0.47) PARP1HTR2BHTR2CHTR3EHTR3B
SCHEMBL30351630 0.84 PARP1 (0.46) PARP1HTR2BHTR2CHTR3EHTR3B
SCHEMBL30352021 0.83 PARP1 (0.44) PARP1HTR2BHTR2CHTR3EHTR3B
SCHEMBL30352272 0.83 PARP1 (0.44) PARP1HTR2BHTR2CHTR3EHTR3B
SCHEMBL30351352 0.82 PARP1 (0.47) PARP1HTR2BHTR2CHTR3EHTR3B
SCHEMBL30351393 0.81 PARP1 (0.45) PARP1
SCHEMBL30459676 0.80 PARP1 (0.50) PARP1HTR2BHTR2CHTR3EHTR3B
SCHEMBL30496975 0.80 PARP1 (0.50) PARP1HTR2BHTR2CHTR3EHTR3B
SCHEMBL26132147 0.79 PARP1 (0.35) PARP1OPRM1POLBMAPTUSP28
SCHEMBL30790499 0.79 PARP1 (0.47) PARP1HTR2BHTR2CHTR3EHTR3B

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-2023066350-A1 CRBN E3 LIGASE LIGAND COMPOUND, PROTEIN DEGRADING AGENT DEVELOPED ON THE BASIS OF LIGAND COMPOUND, AND THEIR APPLICATIONS 标新生物医药科技(上海)有限公司 2023-04-27 — — WO claimed
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