SCHEMBL8666560

SCHEMBL8666560

CCCCc1c2c(cc(C(=O)Nc3ccccc3)c1N1CCCC1N)-c1ccccc1C2C(=O)NCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ ACKR3 P25106 3/20 0.33
▸ F2 P00734 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ AHR P35869 2/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TRPV4 Q9HBA0 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL8676080 0.98 POLB (0.33) POLBACKR3PTPN11AHRJAK2
SCHEMBL8668056 0.88 KDM2B (0.34) POLBF2
SCHEMBL8655496 0.86 POLB (0.33) POLBGAA
SCHEMBL8663542 0.85 POLB (0.34) POLBF2MEN1KMT2A
SCHEMBL8655310 0.85 POLB (0.32) POLB
SCHEMBL8655292 0.84 POLB (0.32) POLB
SCHEMBL8665513 0.84 HCRTR1 (0.33) POLB
SCHEMBL8655163 0.84 POLB (0.32) POLB
SCHEMBL8479120 0.83 POLB (0.34) POLB
SCHEMBL8650741 0.83 POLB (0.31) POLB

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
US-5827875-A PYRROLIDINE DERIVATIVES; ANTIATHEROSCLEROSIS AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-27 — — US disclosed
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