SCHEMBL25006760

SCHEMBL25006760

C=C(Nc1ccccc1C)C(C)CCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.47
▸ SCN1A P35498 1/20 0.47
▸ SCN2A Q99250 1/20 0.47
▸ SCN3A Q9NY46 1/20 0.47
▸ HPGD P15428 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTT P42858 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ P2RX7 Q99572 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40

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
SCHEMBL18653250 0.82 SMN1; SMN2 (0.47) HPGDLMNAMAPTGAAHTT
SCHEMBL25636403 0.82 PGR (0.43) PGRSCN1ASCN2ASCN3AHPGD
SCHEMBL18653070 0.79 SMN1; SMN2 (0.36) HPGDLMNAMAPTGAAHTT
SCHEMBL23468155 0.77 RAB9A (0.43) PGRSCN1ASCN2ASCN3AHPGD
SCHEMBL21212233 0.77 NPC1 (0.53) PGRSCN1ASCN2ASCN3AHPGD
SCHEMBL18653233 0.76 MAPT (0.35) HPGDLMNAMAPTGAAALDH1A1
SCHEMBL18653128 0.76 SMN1; SMN2 (0.34) HPGDLMNAMAPTGAAALDH1A1
SCHEMBL18653224 0.75 SMN1; SMN2 (0.35) HPGDLMNAMAPTGAAHTT
SCHEMBL14350992 0.73 RAB9A (0.53) PGRSCN1ASCN2ASCN3AHPGD
SCHEMBL22641356 0.70 RAB9A (0.50) PGRSCN1ASCN2ASCN3AHPGD

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-4129402-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2023-02-08 — — EP disclosed
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