SCHEMBL30740789

SCHEMBL30740789

FCc1cc(Cl)ccc1OCc1cc(OC2CCNCC2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 7/20 0.47
▸ HTR2C P28335 6/20 0.47
▸ HTR2B P41595 6/20 0.47
▸ HTR6 P50406 1/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ ROCK1 Q13464 1/20 0.39

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
SCHEMBL30740792 0.87 SLC6A4 (0.47) SLC6A4HTR2CHTR2BHTR6SLC6A2
SCHEMBL30740696 0.81 SLC6A4 (0.44) SLC6A4HTR2CHTR2BHTR6SLC6A2
SCHEMBL29826118 0.78 CACNB4 (0.44) —
SCHEMBL24793331 0.76 SLC6A4 (0.60) SLC6A4HTR2CHTR2BHTR6
SCHEMBL30742702 0.75 SLC6A4 (0.41) SLC6A4HTR2CHTR2BSLC6A2SLC6A3
SCHEMBL27478040 0.75 SLC6A4 (0.41) SLC6A4HTR2CHTR2BSLC6A2SLC6A3
SCHEMBL30808487 0.73 SLC6A4 (0.47) SLC6A4HTR2CHTR2BHTR6SLC6A2
SCHEMBL27111329 0.73 SLC6A4 (0.47) SLC6A4HTR2CHTR2BHTR6SLC6A2
SCHEMBL19050239 0.72 ROCK1 (0.51) ROCK1
SCHEMBL30808483 0.70 SLC6A4 (0.45) SLC6A4HTR2CHTR2BHTR6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117043154-A GPCR receptor agonists, pharmaceutical compositions comprising same, and methods of use thereof 卡莫特医疗有限公司 2023-11-10 — — CN disclosed
Send feedback