SCHEMBL8662771

SCHEMBL8662771

CCCCc1c2c(cc(C(=O)c3ccccc3Oc3ccccc3)c1N1CCCC1N)Sc1ccccc1C2C(=O)NCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.33
▸ HCRTR1 O43613 1/20 0.31
▸ SCN1A P35498 1/20 0.31
▸ SCN2A Q99250 1/20 0.31
▸ SCN3A Q9NY46 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CCR3 P51677 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
SCHEMBL8481557 0.98 TSHR (0.31) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL8665948 0.87 PGR (0.31) —
SCHEMBL8486153 0.85 — —
SCHEMBL8668056 0.80 KDM2B (0.34) CCR3
SCHEMBL8343961 0.80 HCRTR2 (0.34) —
SCHEMBL8667893 0.79 POLB (0.32) —
SCHEMBL8655496 0.78 POLB (0.33) HCRTR1
SCHEMBL8484680 0.77 POLB (0.32) TSHRALDH1A1
SCHEMBL8653115 0.77 CCR3 (0.43) TSHRALDH1A1CCR3
SCHEMBL8665513 0.76 HCRTR1 (0.33) HCRTR1

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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