SCHEMBL10380557

SCHEMBL10380557

COC(=O)[C@@H](Cc1cn(Cc2ccccc2)c2ccccc12)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.55
ICMT O60725 9/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
KMT2A Q03164 1/20 0.44
PLA2G2A P14555 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTR6 P50406 1/20 0.43

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
SCHEMBL10380473 1.00 ADAM17 (0.55) ADAM17ICMTSIRT2KMT2APLA2G2A
SCHEMBL9584378 1.00 ADAM17 (0.55) ADAM17ICMTSIRT2KMT2APLA2G2A
Hydrochloric Acid SCHEMBL9583871 0.99 ADAM17 (0.54) ADAM17ICMTSIRT2KMT2APLA2G2A
Hydrochloric Acid SCHEMBL9583865 0.99 ADAM17 (0.54) ADAM17ICMTSIRT2KMT2APLA2G2A
SCHEMBL9585459 0.95 ADAM17 (0.51) ADAM17ICMTALDH1A1LMNAHTR6
SCHEMBL9584364 0.91 ADAM17 (0.58) ADAM17ICMTKMT2AALDH1A1LMNA
Water SCHEMBL10380911 0.90 ADAM17 (0.57) ADAM17ICMTKMT2AALDH1A1LMNA
Water SCHEMBL10380909 0.90 ADAM17 (0.57) ADAM17ICMTKMT2AALDH1A1LMNA
SCHEMBL9583769 0.88 KMT2A (0.54) ADAM17KMT2APLA2G2AALDH1A1LMNA
SCHEMBL9583775 0.88 KMT2A (0.54) ADAM17KMT2APLA2G2AALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375133-A1 Alpha-amino-indole-3-acetic acids useful as anti-diabetic, anti-obesity and anti-atherosclerotic agents THE UPJOHN COMPANY (US) 1990-06-27 EP claimed
WO-1990005721-A1 ALPHA-AMINO-INDOLE-3-ACETIC ACIDS USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1990-05-31 WO claimed