SCHEMBL21942480

SCHEMBL21942480

CCC(=O)N1CCC2(CC1)C[C@H]2c1ccc(C2Nc3ccc(F)cc3O2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ EPHX2 P34913 3/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CACNA1H O95180 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ AKR1B1 P15121 1/20 0.31
▸ OPRM1 P35372 1/20 0.31

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
SCHEMBL21880548 0.86 FASN (0.36) CACNA1HAKR1B1
SCHEMBL21880532 0.86 FASN (0.36) CACNA1HAKR1B1
SCHEMBL21880574 0.81 EPHX2 (0.33) MAPTTSHREPHX2ALDH1A1NR3C2
SCHEMBL21880562 0.81 EPHX2 (0.33) MAPTTSHREPHX2ALDH1A1NR3C2
SCHEMBL21836819 0.72 EPHX2 (0.46) MAPTEPHX2NAMPTALDH1A1OPRM1
SCHEMBL22926341 0.70 HTR7 (0.43) MAPTALDH1A1L3MBTL1
SCHEMBL17410764 0.70 FASN (0.53) —
SCHEMBL21880395 0.70 ALDH1A1 (0.43) TSHRNAMPTALDH1A1L3MBTL1
SCHEMBL21941785 0.70 ALDH1A1 (0.43) TSHRNAMPTALDH1A1L3MBTL1
SCHEMBL21880386 0.69 NAMPT (0.36) TSHREPHX2NAMPTOPRM1

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
EP-3636637-A1 INHIBITING FATTY ACID SYNTHASE (FASN) Forma Therapeutics, Inc. (US) 2020-04-15 — — EP disclosed
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