SCHEMBL30955445

SCHEMBL30955445

O=Cc1cccc(-c2nnnn2C2CCCCO2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
KCNJ1 P48048 1/20 0.36
PTPN11 Q06124 3/20 0.35
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
PRKDC P78527 1/20 0.34
DRD4 P21917 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32

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
SCHEMBL30955476 0.81 PTPN11 (0.42) PTPN11CYP4F2CYP4A11PRKDCDRD4
SCHEMBL30955463 0.81 PTPN11 (0.42) PTPN11CYP4F2CYP4A11DRD4RXRA
SCHEMBL27284784 0.79 CYP4F2 (0.48) CYP4F2CYP4A11ATR
SCHEMBL30655993 0.78 BRD4 (0.36) BRD4CYP4F2CYP4A11PRKDCDRD4
SCHEMBL30582740 0.74 MCL1 (0.43) BRD4CYP4F2CYP4A11PRKDCHRH3
SCHEMBL16122947 0.71 FFAR1 (0.35) CYP4F2CYP4A11DRD4RXRARXRB
SCHEMBL2816857 0.71 LMNA (0.42) ALDH1A1LMNAL3MBTL1
SCHEMBL29258756 0.71 ATR (0.41) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL2815892 0.71 KCNN4 (0.40) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL8816257 0.70 SMN1; SMN2 (0.46) BRD4KCNJ1ALDH1A1LMNATRIM24

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-4626548-A1 NON PEPTIDERGIC AGONISTS OF OXYTOCIN RECEPTOR Université de Strasbourg (FR) 2025-10-08 EP disclosed
WO-2024115667-A1 NON PEPTIDERGIC AGONISTS OF OXYTOCIN RECEPTOR UNIVERSITE DE STRASBOURG (FR) 2024-06-06 WO disclosed