SCHEMBL30284342

SCHEMBL30284342

O=C(NC1(c2ccccc2)CC1)c1cc(-c2cccc(C(F)(F)F)c2)nc2cc(Br)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.58
TRPV4 Q9HBA0 4/20 0.56
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.45
PDE2A O00408 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 1/20 0.43
SLC6A9 P48067 1/20 0.43
POLB P06746 2/20 0.42
KDM4E B2RXH2 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
SCHEMBL2384992 0.91 TACR3 (0.70) TACR3TRPV4CA12CA1CA2
SCHEMBL30284215 0.91 TACR3 (0.70) TACR3TRPV4CA12CA1CA2
SCHEMBL6452631 0.74 TACR3 (1.00) TACR3LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL22573242 0.73 AURKA (0.58) CA12CA1CA2CA9LMNA
SCHEMBL30485644 0.73 AURKA (0.58) CA12CA1CA2CA9LMNA
SCHEMBL2404540 0.72 TRPV4 (1.00) TACR3TRPV4
SCHEMBL2371586 0.72 TRPV4 (0.88) TACR3TRPV4
SCHEMBL2373465 0.71 KDM4E (0.69) CA12CA1CA2CA9LMNA
SCHEMBL28984340 0.71 TRPV4 (0.60) TACR3TRPV4
SCHEMBL8617534 0.70 CA12 (0.64) TACR3CA12CA1CA2CA9

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
WO-2025051930-A1 PHARMACEUTICAL COMPOSITION COMPRISING TRPV4 INHIBITOR FOR USE IN THE PREVENTION OR TREATMENT OF CEREBRAL CAVERNOUS MALFORMATIONS (CCM) UNIVERSITE GRENOBLE ALPES (FR) 2025-03-13 WO disclosed
CN-115776890-A TRPV4 inhibitors as therapeutic agents for eye diseases 拉夸里亚创药株式会社 2023-03-10 CN disclosed