SCHEMBL31258454

SCHEMBL31258454

O=C(NC1CCN(C(=O)OCc2ccccc2)CC1)c1cc(F)ccc1CNCc1ccc(OC2CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 1/20 0.44
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2A P28223 1/20 0.42
CCR3 P51677 2/20 0.42
ENPP2 Q13822 2/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 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
Hydrochloric Acid SCHEMBL31258455 0.81 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTALDH1A1HSD17B10
SCHEMBL31258456 0.79 LMNA (0.52) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL342045 0.73 ACHE (0.59) SMN1; SMN2HTTALDH1A1TSHRMEN1
SCHEMBL26099235 0.72 BCHE (0.42) SMN1; SMN2LMNAHTTENPP2NPC1
SCHEMBL13198831 0.72 SMN1; SMN2 (0.63) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL8304333 0.71 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL1648387 0.71 SMN1; SMN2 (0.61) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL26136494 0.70 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL30120062 0.70 SMN1; SMN2 (0.60) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL21854651 0.70 SMN1; SMN2 (0.54) SMN1; SMN2HTTMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4700019-A1 CRYSTAL FORM OF 1,5-DIHYDRO-2,4-BENZODIAZEPINE-3-ONE DERIVATIVE CITRATE, PREPARATION METHOD, AND USE THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2026-02-25 EP disclosed
WO-2024217521-A1 CRYSTAL FORM OF 1,5-DIHYDRO-2,4-BENZODIAZEPINE-3-ONE DERIVATIVE CITRATE, PREPARATION METHOD, AND USE THEREOF 江苏恩华药业股份有限公司 2024-10-24 WO disclosed