SCHEMBL8483448

SCHEMBL8483448

CCCC(c1ccc(NC(=O)Oc2ccccc2)c2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2)N1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ ELANE P08246 5/20 0.32
▸ TACR1 P25103 1/20 0.31
▸ CHRM3 P20309 2/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL8523531 0.90 SLC6A2 (0.34) POLBSLC6A2SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL8479995 0.90 MEN1 (0.36) TACR1ALDH1A1SMN1; SMN2
SCHEMBL8480386 0.86 POLB (0.33) POLBALDH1A1
SCHEMBL8479937 0.85 MEN1 (0.35) TACR1ALDH1A1SMN1; SMN2
SCHEMBL8501140 0.84 POLB (0.35) POLBELANEALDH1A1
SCHEMBL8653095 0.83 PRMT5 (0.33) POLB
SCHEMBL8483461 0.80 DRD3 (0.35) POLBTACR1
SCHEMBL8483454 0.79 MEN1 (0.35) POLBELANEALDH1A1SMN1; SMN2
SCHEMBL8667920 0.76 UBE2M (0.36) —
SCHEMBL8667993 0.76 ACKR3 (0.37) POLBSLC6A2SLC6A3ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883099-A TREATMENT OF ATHERSCLEROSIS, PANCREATITIS OBESITY OR HYPERGLYCEMIA BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-16 — — US disclosed
US-H1729-H Method for preparing compounds employing solid phase synthesis and novel linker-resin BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-05 — — US disclosed
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