SCHEMBL25154604

SCHEMBL25154604

O=C(O)C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.57
RORC P51449 1/20 0.56
LMNA P02545 2/20 0.55
POLB P06746 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 1/20 0.50

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
SCHEMBL4283405 1.00 SIGMAR1 (0.57) SIGMAR1RORCLMNAPOLBALDH1A1
SCHEMBL21315836 1.00 SIGMAR1 (0.57) SIGMAR1RORCLMNAPOLBALDH1A1
SCHEMBL10681973 0.89 SIGMAR1 (0.55) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL123695 0.85 SIGMAR1 (0.61) SIGMAR1LMNAPOLBALDH1A1GAA
SCHEMBL8408488 0.84 GBA1 (0.48) SIGMAR1RORCPOLBALDH1A1KMT2A
SCHEMBL25154296 0.84 MC4R (0.49) SIGMAR1ALDH1A1
SCHEMBL25154556 0.84 SIGMAR1 (0.47) SIGMAR1LMNAALDH1A1KMT2A
SCHEMBL25154734 0.84 SIGMAR1 (0.59) SIGMAR1ALDH1A1
SCHEMBL25154270 0.84 SIGMAR1 (0.59) SIGMAR1ALDH1A1
SCHEMBL65364 0.83 SIGMAR1 (0.78) SIGMAR1LMNAPOLBALDH1A1MEN1

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-2023064768-A1 G-PROTEIN-COUPLED RECEPTOR REGULATORS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-04-20 WO disclosed