SCHEMBL2199017

SCHEMBL2199017

O=C(O)NC1CCCCC1C(=O)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.48
▸ EPHX2 P34913 3/20 0.48
▸ EPHX1 P07099 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SSTR3 P32745 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42

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
SCHEMBL6381676 0.81 TAAR1 (0.56) TAAR1EPHX2EPHX1ALDH1A1CYP2C19
SCHEMBL6386709 0.81 TAAR1 (0.56) TAAR1EPHX2EPHX1ALDH1A1CYP2C19
SCHEMBL6386712 0.81 TAAR1 (0.56) TAAR1EPHX2EPHX1ALDH1A1CYP2C19
SCHEMBL9177083 0.75 DPP4 (0.51) TAAR1EPHX2EPHX1ALDH1A1CYP2C19
SCHEMBL7876555 0.75 DPP4 (0.51) TAAR1EPHX2EPHX1ALDH1A1CYP2C19
SCHEMBL7876558 0.75 TAAR1 (0.46) TAAR1EPHX2EPHX1ALDH1A1CYP2C19
SCHEMBL5880795 0.75 ALDH1A1 (0.60) TAAR1EPHX2EPHX1ALDH1A1CYP2C19
SCHEMBL991353 0.74 TAAR1 (0.65) TAAR1EPHX2EPHX1ALDH1A1NPC1
SCHEMBL3641064 0.74 TAAR1 (0.65) TAAR1EPHX2EPHX1ALDH1A1NPC1
SCHEMBL991352 0.74 TAAR1 (0.65) TAAR1EPHX2EPHX1ALDH1A1NPC1

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-7977362-B2 Alpha-(N-benzenesulfonamido)cycloalkyl derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-12 — — US disclosed
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