SCHEMBL8480390

SCHEMBL8480390

O=C(C1c2ccccc2-c2ccccc21)N(CCCCN1CCC(NS(=O)(=O)c2ccccc2)CC1)CC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 16/20 0.48
▸ HTR7 P34969 16/20 0.48
▸ SFRP1 Q8N474 2/20 0.47
▸ CCR3 P51677 1/20 0.44
▸ HRH2 P25021 1/20 0.43
▸ HRH1 P35367 1/20 0.43

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
SCHEMBL8523534 0.84 ADRA1D (0.53) CCR3
SCHEMBL8483451 0.82 DRD2 (0.42) HTR1A
SCHEMBL8667996 0.81 UTS2R (0.47) HTR7
SCHEMBL8712879 0.81 HTR1A (0.37) HTR1AHTR7SFRP1CCR3
SCHEMBL8479999 0.78 CCR3 (0.51) HTR1AHTR7CCR3
SCHEMBL8479942 0.78 CCR3 (0.51) HTR1AHTR7CCR3
SCHEMBL8665585 0.78 HRH2 (0.35) HTR1AHTR7SFRP1CCR3HRH2
SCHEMBL5490017 0.77 HTR7 (0.46) HTR1AHTR7CCR3
SCHEMBL8653097 0.76 MTTP (0.44) HTR1AHTR7CCR3
SCHEMBL8667924 0.76 CCR3 (0.48) HTR1AHTR7CCR3

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-5883099-A TREATMENT OF ATHERSCLEROSIS, PANCREATITIS OBESITY OR HYPERGLYCEMIA BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-16 — — US disclosed
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