SCHEMBL30722006

SCHEMBL30722006

Nc1cc(F)c(N2C3CCCC2CC3)c(OCc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.41
S1PR5 Q9H228 1/20 0.40
HRH3 Q9Y5N1 4/20 0.40
CYP2D6 P10635 2/20 0.40
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
CYP19A1 P11511 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
IGF1R P08069 1/20 0.36

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
SCHEMBL26984852 1.00 KDM1A (0.41) KDM1AS1PR5HRH3CYP2D6HTR1A
SCHEMBL30721973 0.81 CYP19A1 (0.45) S1PR5CYP19A1CYP11B1CYP11B2
SCHEMBL26984671 0.81 CYP19A1 (0.45) S1PR5CYP19A1CYP11B1CYP11B2
SCHEMBL3693704 0.76 TRPV1 (0.34)
SCHEMBL5033268 0.69 CYP19A1 (0.56) KDM1ACYP19A1CYP11B1CYP11B2
SCHEMBL371725 0.69 MAOB (0.53) KDM1AS1PR5CYP19A1CYP11B1CYP11B2
SCHEMBL5065124 0.68 KDM1A (0.52) KDM1AHTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL11418706 0.68 MAOB (0.51) KDM1AS1PR5CYP19A1CYP11B1CYP11B2
SCHEMBL26990088 0.68 KDM1A (0.44) KDM1ASLC6A4CYP19A1CYP11B1CYP11B2
SCHEMBL11133548 0.67 MAOB (0.53) HTR1ACYP19A1CYP11B1CYP11B2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151402-A1 THIAZOLE TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. (US) 2025-07-17 WO disclosed
EP-4551571-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF Libra Therapeutics, Inc. (US) 2025-05-14 EP disclosed
CN-119790050-A Oxazole TRPML1 agonists and uses thereof 利布拉医疗公司 2025-04-08 CN disclosed
WO-2024011155-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed