SCHEMBL26466243

SCHEMBL26466243

O=C(CN1C[C@@H]2C[C@H]1CN2CC(=O)NC1(C(F)(F)F)CC1)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.48
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 4/20 0.44
TP53 P04637 3/20 0.44
THRB P10828 1/20 0.44
CACNA1H O95180 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MCHR1 Q99705 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
FABP4 P15090 1/20 0.41

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
SCHEMBL26466250 1.00 HPGD (0.49) HPGDKMT2ATSHRALDH1A1MAPT
SCHEMBL26466594 1.00 HPGD (0.49) HPGDKMT2ATSHRALDH1A1MAPT
SCHEMBL26466926 0.89 ALDH1A1 (0.47) HPGDKMT2ATSHRALDH1A1MAPT
SCHEMBL26465688 0.89 HPGD (0.53) HPGDKMT2ATSHRALDH1A1MAPT
SCHEMBL26466919 0.88 CACNA1H (0.42) HPGDKMT2ATSHRALDH1A1MAPT
SCHEMBL26466916 0.88 SIGMAR1 (0.42) HPGDTSHRMAPTCACNA1H
SCHEMBL26466408 0.87 HPGD (0.52) HPGDKMT2ATSHRALDH1A1MAPT
SCHEMBL26466233 0.85 CACNA1H (0.53) KMT2AALDH1A1CACNA1HMCHR1
SCHEMBL26466415 0.85 CACNA1H (0.53) KMT2AALDH1A1CACNA1HMCHR1
SCHEMBL26466914 0.85 L3MBTL1 (0.43) KMT2ATSHRALDH1A1MAPTCACNA1H

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
WO-2023192669-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING A PIPERAZINE OR 1,4-DIAZEPANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed