SCHEMBL8667993

SCHEMBL8667993

CCCC(c1cc(NC(=O)c2ccccc2)cc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2)N1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ P2RX1 P51575 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MAPT P10636 3/20 0.33
▸ USP2 O75604 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ACE2 Q9BYF1 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
SCHEMBL8667920 0.89 UBE2M (0.36) ACKR3KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL8663911 0.88 UBE2M (0.36) ACKR3KDM4EMEN1KMT2A
SCHEMBL8501140 0.88 POLB (0.35) POLBCYP1A2GAAHTTMAPT
SCHEMBL8662744 0.87 ACKR3 (0.36) ACKR3CYP1A2TRPA1SLC6A2SLC6A3
SCHEMBL8504387 0.87 UBE2M (0.36) ACKR3POLBKDM4EALDH1A1MEN1
SCHEMBL8503674 0.87 CCR2 (0.36) ACKR3POLBSLC6A2SLC6A3
SCHEMBL8523531 0.84 SLC6A2 (0.34) ACKR3POLBCYP1A2SLC6A2SLC6A3
SCHEMBL8668004 0.77 POLB (0.37) ACKR3POLBCYP1A2HTTMAPT
SCHEMBL8483448 0.76 POLB (0.33) POLBSLC6A2SLC6A3ALDH1A1
SCHEMBL8503681 0.75 POLB (0.37) ACKR3POLBHTT

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 claimed
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