SCHEMBL23535932

SCHEMBL23535932

O=C(O)c1ccccc1N1CCN(c2ccc(Cl)cc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.53
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 4/20 0.46
CYP2C19 P33261 2/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 2/20 0.46
GRM5 P41594 1/20 0.46
TTR P02766 1/20 0.45
DRD4 P21917 1/20 0.45
GRM2 Q14416 1/20 0.45
MYC P01106 1/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL21261350 0.88 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL29772909 0.84 L3MBTL1 (0.55) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL24628361 0.84 L3MBTL1 (0.55) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL23536551 0.81 TSHR (0.66) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL8048603 0.80 ALDH1A1 (0.61) ENPP2ALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL11102561 0.78 ALDH1A1 (0.57) ENPP2ALDH1A1TSHRMEN1KMT2A
SCHEMBL29772902 0.77 DRD4 (0.49) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL21261309 0.77 DRD4 (0.49) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL21261239 0.77 POLB (0.54) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL21261307 0.76 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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