SCHEMBL30955463

SCHEMBL30955463

BrCc1cccc(-c2nnnn2C2CCCCO2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.42
DRD4 P21917 1/20 0.40
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
SLC6A2 P23975 3/20 0.34
ALDH1A1 P00352 4/20 0.34
USP2 O75604 2/20 0.34
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
RORC P51449 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33

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 0.89 PTPN11 (0.42) PTPN11DRD4CYP4F2CYP4A11RXRA
SCHEMBL30955445 0.81 BRD4 (0.39) PTPN11DRD4CYP4F2CYP4A11RXRA
SCHEMBL2815892 0.72 KCNN4 (0.40) CYP4F2CYP4A11SLC6A2ALDH1A1TSHR
SCHEMBL2816857 0.70 LMNA (0.42) SLC6A2ALDH1A1TSHRLMNASLC6A4
SCHEMBL29258756 0.70 ATR (0.41) CYP4F2CYP4A11ALDH1A1TSHRLMNA
SCHEMBL16122947 0.68 FFAR1 (0.35) DRD4CYP4F2CYP4A11RXRARXRB
SCHEMBL3396469 0.68 ATR (0.33) DRD4CYP4F2CYP4A11RXRARXRB
SCHEMBL26916041 0.67 ALDH1A1 (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL2471554 0.67 RXRA (0.64) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL7139239 0.67 RXRA (0.55) CYP4F2CYP4A11RXRARXRBRXRG

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