SCHEMBL8871782

SCHEMBL8871782

NCC(=O)N1[C@@H](c2cccc(F)c2F)SC[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.51
▸ LMNA P02545 1/20 0.43
▸ FFAR2 O15552 12/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8860652 0.90 ACE (0.56) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL8870553 0.90 ACE (0.56) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL8829187 0.82 ACE (0.55) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL10920568 0.81 ACE (0.74) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL11282508 0.81 ACE (0.74) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL10920564 0.81 ACE (0.74) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL8871027 0.81 LMNA (0.44) ACELMNAFFAR2ALDH1A1HTT
SCHEMBL8870611 0.81 ACE (0.57) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL8871013 0.78 HSD17B10 (0.57) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL8870565 0.78 HSD17B10 (0.57) ACELMNAFFAR2ALDH1A1POLB

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-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 — — US disclosed
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