SCHEMBL30789897

SCHEMBL30789897

O=C1c2ccc(CN3CCN(Cc4ccccc4-c4cccs4)CC3)cc2CN1C1CCCNC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.38
▸ HTR2B P41595 7/20 0.38
▸ HTR2A P28223 6/20 0.38
▸ KDR P35968 1/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ DRD2 P14416 2/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ IKZF1 Q13422 3/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM3 P20309 1/20 0.33

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
SCHEMBL30790152 0.89 PARP1 (0.40) HTR2CHTR2BHTR2AKDRPARP1
SCHEMBL30789825 0.88 KDR (0.39) HTR2CHTR2BHTR2AKDRPARP1
SCHEMBL30789853 0.88 DRD2 (0.44) HTR2CHTR2BHTR2AKDRPARP1
SCHEMBL30790177 0.84 HTR2C (0.38) HTR2CHTR2BHTR2APARP1LMNA
SCHEMBL30790468 0.81 HTR2C (0.51) HTR2CHTR2BHTR2APARP1CHRM2
SCHEMBL30459017 0.81 HTR2C (0.46) HTR2CHTR2BHTR2APARP1IKZF1
SCHEMBL31622545 0.80 IKZF2 (0.53) IKZF1IKZF2
SCHEMBL30459129 0.76 HTR2B (0.44) HTR2CHTR2BHTR2APARP1IKZF1
SCHEMBL30458379 0.76 HTR2B (0.44) HTR2CHTR2BHTR2APARP1IKZF1
SCHEMBL30459092 0.75 HTR2C (0.47) HTR2CHTR2BHTR2APARP1IKZF2

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-2024032689-A1 COMPOUND BASED ON ISOINDOLINE-SUBSTITUTED GLUTARIMIDE BACKBONE AND USE THEREOF 标新生物医药科技(上海)有限公司 2024-02-15 — — WO claimed
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