SCHEMBL25604607

SCHEMBL25604607

CC(=O)CCCc1ccccc1CCN

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.47
ALDH1A1 P00352 2/20 0.46
PAOX Q6QHF9 2/20 0.45
HTR2A P28223 1/20 0.44
LMNA P02545 1/20 0.44
IAPP P10997 1/20 0.43
HMGB1 P09429 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41

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
SCHEMBL8243877 0.85 ALDH1A1 (0.48) ALDH1A1LMNAIAPPCYP4F2CYP4A11
SCHEMBL9394677 0.82 CYP4F2 (0.51) ALDH1A1PAOXLMNAIAPPCYP4F2
SCHEMBL6601966 0.81 TAAR1 (0.48) TAAR1ALDH1A1LMNAIAPP
SCHEMBL3650689 0.81 ALDH1A1 (0.46) ALDH1A1PAOXLMNAIAPPCYP4F2
SCHEMBL29191321 0.79 IAPP (0.58) TAAR1ALDH1A1LMNAIAPP
SCHEMBL29712399 0.78 TAAR1 (0.47) TAAR1ALDH1A1HTR2ALMNAIAPP
SCHEMBL5182214 0.78 TAAR1 (0.47) TAAR1ALDH1A1LMNAIAPP
SCHEMBL809020 0.78 TAAR1 (0.47) TAAR1ALDH1A1HTR2ALMNAIAPP
SCHEMBL10882347 0.78 ALDH1A1 (0.55) ALDH1A1LMNAIAPP
SCHEMBL28332846 0.76 FOLH1 (0.58) ALDH1A1LMNA

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-3724188-B1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2023-06-07 EP disclosed