SCHEMBL23536324

SCHEMBL23536324

C[C@@H]1CN(CC2(C)CCN(c3c(N)cccc3F)CC2)C[C@H](C)O1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.34
CYP2A13 Q16696 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
PTPN11 Q06124 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 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
SCHEMBL23536010 0.89 KDM1A (0.34) KDM1ACYP2A13KDM4EHTTNPC1
SCHEMBL23536061 0.86 KDM1A (0.33) KDM1ACYP2A13KDM4EHTT
SCHEMBL23536046 0.82 ALDH1A1 (0.42) KDM4EHTTPTPN11RAB9APOLB
SCHEMBL29932205 0.82 ALDH1A1 (0.42) KDM4EHTTPTPN11RAB9APOLB
SCHEMBL23536058 0.79 CYP2A13 (0.34) CYP2A13KDM4EHTTNPC1RAB9A
SCHEMBL23535973 0.79 CYP2A13 (0.34) CYP2A13KDM4EHTTNPC1RAB9A
SCHEMBL23536077 0.77 BPTF (0.35) CYP2A13KDM4EHTT
SCHEMBL29931901 0.74 MCOLN2 (0.47) KDM4E
SCHEMBL28867487 0.71 MEN1 (0.33) NPC1RAB9A
SCHEMBL28867476 0.71 ALDH1A1 (0.42) KDM4EHTTRAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed