SCHEMBL8668034

SCHEMBL8668034

CCCCc1c2c(cc(F)c1N1CCC(NC(=O)c3ccccc3)C1)-c1cc(F)ccc1C2C(=O)NCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 4/20 0.37
▸ MCHR1 Q99705 3/20 0.37
▸ DRD2 P14416 3/20 0.37
▸ DRD4 P21917 3/20 0.37
▸ SLC6A12 P48065 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ HTR7 P34969 2/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ RET P07949 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ AKT1 P31749 1/20 0.34

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
SCHEMBL8717803 0.96 CCR3 (0.40) CCR3MCHR1SLC6A12TMEM97SIGMAR1
SCHEMBL8504377 0.94 MCHR1 (0.34) CCR3MCHR1DRD2DRD4SLC6A12
SCHEMBL8665214 0.85 MCHR1 (0.37) CCR3MCHR1DRD2DRD4SLC6A12
SCHEMBL8665881 0.82 DRD2 (0.37) MCHR1DRD2DRD4AKT1
SCHEMBL8480060 0.82 CCR3 (0.40) CCR3MCHR1SLC6A12TMEM97SIGMAR1
SCHEMBL8500944 0.80 MCHR1 (0.34) CCR3MCHR1DRD2DRD4SLC6A12
SCHEMBL8666097 0.80 DRD2 (0.36) MCHR1DRD2DRD4AKT1
SCHEMBL8501237 0.77 MTTP (0.36) DRD2DRD4
SCHEMBL8648478 0.76 CCNE1 (0.37) CCR3ALDH1A1
SCHEMBL8501050 0.75 MTTP (0.36) DRD2DRD4ALDH1A1

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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