SCHEMBL29384288

SCHEMBL29384288

Brc1ccccc1C1OCCCO1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.43
HTR2B P41595 4/20 0.43
KDM1A O60341 3/20 0.42
SLC6A2 P23975 2/20 0.42
HTR2A P28223 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 1/20 0.42
RCOR1 Q9UKL0 1/20 0.39
BRD4 O60885 1/20 0.35
GID4 Q8IVV7 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 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
SCHEMBL1043098 1.00 HTR2C (0.43) HTR2CHTR2BKDM1ASLC6A2HTR2A
SCHEMBL11030273 0.98 HTR2C (0.42) HTR2CHTR2BKDM1ASLC6A2HTR2A
SCHEMBL252280 0.91 HTR2C (0.46) HTR2CHTR2BKDM1ASLC6A2HTR2A
SCHEMBL29571908 0.91 HTR2C (0.46) HTR2CHTR2BKDM1ASLC6A2HTR2A
SCHEMBL3977375 0.77 SMN1; SMN2 (0.31)
SCHEMBL11632118 0.76 HTR2C (0.41) HTR2CHTR2BKDM1ASLC6A2HTR2A
SCHEMBL3666019 0.75 NLRP3 (0.32) GAA
SCHEMBL13610515 0.75 KDM1A (0.44) HTR2CHTR2BKDM1ARCOR1MEN1
SCHEMBL1374931 0.75 MEN1 (0.43) HTR2CHTR2BSLC6A2HTR2ASLC6A4
SCHEMBL3083610 0.75 HTR2C (0.42) HTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116162060-B Synthetic method of OLED intermediate 3-substituted kephaline 江苏广域化学有限公司 2024-12-03 CN disclosed
EP-4192957-A2 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2023-06-14 EP disclosed
CN-116162060-A Synthetic method of OLED intermediate 3-substituted kephaline 江苏广域化学有限公司 2023-05-26 CN disclosed
CN-116113698-A TRPML modulators 卡斯玛治疗公司 2023-05-12 CN disclosed
WO-2022032073-A2 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2022-02-10 WO disclosed