SCHEMBL19305499

SCHEMBL19305499

O=C1c2cccc(NCc3cc(OCCO)ccc3F)c2CN1C1CCCNC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.37
▸ HTR2B P41595 7/20 0.37
▸ HTR2C P28335 6/20 0.37
▸ HTR2A P28223 5/20 0.37
▸ CRBN Q96SW2 7/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ IKZF3 Q9UKT9 1/20 0.36
▸ MAPK1 P28482 1/20 0.34
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ HTR3D Q70Z44 1/20 0.33
▸ HTR3C Q8WXA8 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ IKZF1 Q13422 1/20 0.33
▸ PTGER2 P43116 1/20 0.33
▸ STAT3 P40763 1/20 0.32
▸ NTRK1 P04629 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
SCHEMBL17724238 0.82 CRBN (0.54) CRBNDDB1IKZF3CSNK1A1IKZF1
SCHEMBL17724229 0.82 CRBN (0.54) CRBNDDB1IKZF3CSNK1A1IKZF1
SCHEMBL17724108 0.82 CRBN (0.54) CRBNDDB1IKZF3CSNK1A1IKZF1
SCHEMBL19305483 0.79 HTR2C (0.41) PARP1HTR2BHTR2CHTR2A
SCHEMBL30493286 0.78 STAT3 (0.44) PARP1HTR2BHTR2CHTR2AMAPK1
SCHEMBL23938928 0.74 THRB (0.37) MAPK1PTGER2
SCHEMBL17724086 0.74 TNF (0.61) CRBNDDB1IKZF3CSNK1A1IKZF1
SCHEMBL17724223 0.74 TNF (0.61) CRBNDDB1IKZF3CSNK1A1IKZF1
SCHEMBL19541607 0.74 CRBN (0.40) CRBNDDB1IKZF3CSNK1A1IKZF1
SCHEMBL17724215 0.74 TNF (0.61) CRBNDDB1IKZF3CSNK1A1IKZF1

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
EP-3214081-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Kangpu Biopharmaceuticals, Ltd. (CN) 2017-09-06 — — EP disclosed
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