SCHEMBL30141540

SCHEMBL30141540

COC(=O)c1ccc(N=C(Cl)c2c(C(F)(F)F)cnn2CC2CCC(F)(F)CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.34
IL1B P01584 2/20 0.34
P2RX7 Q99572 2/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
SCN9A Q15858 3/20 0.32
AR P10275 2/20 0.31
SCN5A Q14524 1/20 0.30
SLC6A9 P48067 1/20 0.30

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
SCHEMBL24906445 1.00 CRHR1 (0.34) CRHR1IL1BP2RX7HTR2AHTR2C
SCHEMBL24906203 0.76 P2RX7 (0.36) P2RX7HTR2AHTR2CSLC6A4
SCHEMBL24758260 0.76 HTR2A (0.33) HTR2AHTR2CSLC6A4
SCHEMBL24758976 0.73 AKR1C3 (0.40) IL1BP2RX7
SCHEMBL24906446 0.73 AKR1C3 (0.40) IL1BP2RX7
SCHEMBL24758262 0.72 KDM5A (0.35) CRHR1IL1BP2RX7
SCHEMBL24758348 0.70 CNR1 (0.39) P2RX7HTR2AHTR2CSLC6A4AR
SCHEMBL24906428 0.69 AKR1C3 (0.40) IL1BP2RX7HTR2A
SCHEMBL30141388 0.69 AKR1C3 (0.40) IL1BP2RX7HTR2A
SCHEMBL24758261 0.68 P2RX7 (0.40) P2RX7HTR2AHTR2CSLC6A4

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-4355733-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2024-04-24 EP disclosed
WO-2022263498-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2022-12-22 WO disclosed