SCHEMBL7290804

SCHEMBL7290804

NC(Cc1ccccc1)C(O)CN1CCC[C@H]1C(=O)NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.68
FKBP1A P62942 2/20 0.50
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.47
PTGER4 P35408 2/20 0.46

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
SCHEMBL496350 0.90 F2 (0.57) F2FKBP1AALDH1A1CYP3A4CYP2C9
SCHEMBL4695244 0.90 F2 (0.57) F2FKBP1AALDH1A1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL495561 0.89 F2 (0.59) F2FKBP1AALDH1A1CYP3A4CYP2C9
SCHEMBL7292641 0.87 F2 (0.53) F2FKBP1AALDH1A1CYP2C9CYP2C19
SCHEMBL4696097 0.86 ACE (0.51) F2CYP2C19
SCHEMBL15062947 0.86 ACE (0.51) F2CYP2C19
SCHEMBL8241847 0.86 F2 (0.52) F2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL495815 0.85 F2 (0.52) F2POLB
Hydrochloric Acid SCHEMBL495585 0.85 F2 (0.54) F2ALDH1A1CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL495583 0.85 F2 (0.54) F2ALDH1A1CYP3A4SMN1; SMN2

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-0346847-B1 Amino acid derivatives HOFFMANN LA ROCHE (CH) 1994-05-11 EP disclosed