SCHEMBL23536325

SCHEMBL23536325

Fc1cccc(F)c1C1CCN(c2ccccc2CBr)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.44
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
ABCB1 P08183 1/20 0.41
NOTUM Q6P988 1/20 0.40
HSD17B10 Q99714 1/20 0.38
IGF1R P08069 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL29931899 1.00 GRM2 (0.44) GRM2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL23535976 0.86 GRM2 (0.44) GRM2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL29932127 0.79 GRM2 (0.43) GRM2
SCHEMBL23536378 0.79 GRM2 (0.43) GRM2
SCHEMBL23536162 0.75 GRM2 (0.45) GRM2KDM4EALDH1A1POLBTSHR
SCHEMBL29932096 0.73 ALDH1A1 (0.40) GRM2KDM4EALDH1A1POLBTSHR
SCHEMBL29931786 0.72 LMNA (0.40) GRM2KDM4EALDH1A1TSHRHSD17B10
SCHEMBL25344389 0.69 NOTUM (0.39) KDM4EALDH1A1POLBTSHRNOTUM
SCHEMBL11964391 0.68 LMNA (0.47) KDM4EALDH1A1POLBHSD17B10CYP1A2
SCHEMBL10994234 0.68 ABCB1 (0.60) HTR1ASLC6A2SLC6A4SLC6A3ABCB1

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