SCHEMBL21382546

SCHEMBL21382546

CC(NC(=O)C(F)(F)F)c1ccc(N2CCN(C(C)(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 17/20 0.53
▸ CNR1 P21554 1/20 0.42
▸ ATM Q13315 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40

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
SCHEMBL21378605 0.82 MAPT (0.53) ACACBCTSSCTSK
SCHEMBL21378603 0.82 MAPT (0.53) ACACBCTSSCTSK
SCHEMBL14923962 0.74 PANK3 (0.43) CTSLCTSBCTSSCTSK
SCHEMBL21399858 0.73 CNR1 (0.49) ACACBCNR1
SCHEMBL20466394 0.73 KDM4E (0.40) CTSLCTSBCTSSCTSK
SCHEMBL15849916 0.72 ACACB (0.63) ACACB
SCHEMBL10188170 0.72 ACACB (0.63) ACACB
SCHEMBL16638537 0.72 ACACB (0.63) ACACB
SCHEMBL21382601 0.71 PDE2A (0.40) CTSLCTSBCTSSCTSK
SCHEMBL21399933 0.71 CNR1 (0.48) ACACBCNR1

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
WO-2019180686-A1 IDO-TDO DUAL INHIBITOR AND RELATED METHODS OF USE CMG PHARMACEUTICAL CO., LTD. (KR) 2019-09-26 — — WO disclosed
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