SCHEMBL29930592

SCHEMBL29930592

C[C@H](NC[C@H](O)CP(=O)(O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
CYP2C9 P11712 2/20 1.00
CYP2C19 P33261 2/20 1.00
CYP3A4 P08684 4/20 0.63
CYP1A2 P05177 2/20 0.63
ADRB3 P13945 2/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
PTPN5 P54829 1/20 0.42
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
KCNH2 Q12809 4/20 0.41
ANPEP P15144 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2948761 1.00 CYP2D6 (1.00) CYP2D6MEN1KMT2ACYP2C9CYP2C19
SCHEMBL2951193 1.00 CYP2D6 (1.00) CYP2D6MEN1KMT2ACYP2C9CYP2C19
SCHEMBL2948565 1.00 CYP2D6 (1.00) CYP2D6MEN1KMT2ACYP2C9CYP2C19
SCHEMBL2947846 1.00 CYP2D6 (1.00) CYP2D6MEN1KMT2ACYP2C9CYP2C19
SCHEMBL2948561 1.00 CYP2D6 (1.00) CYP2D6MEN1KMT2ACYP2C9CYP2C19
SCHEMBL2948760 1.00 CYP2D6 (1.00) CYP2D6MEN1KMT2ACYP2C9CYP2C19
SCHEMBL2951196 1.00 CYP2D6 (1.00) CYP2D6MEN1KMT2ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL30529824 0.99 CYP2D6 (0.98) CYP2D6MEN1KMT2ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8976027 0.89 KMT2A (0.81) CYP2D6MEN1KMT2ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8976126 0.89 KMT2A (0.81) CYP2D6MEN1KMT2ACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025046136-A1 CRHR1 AGONISTS FOR USE IN THE TREATMENT OF SOCIAL ANXIETY DISORDERS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2025-03-06 WO disclosed
EP-4516309-A1 CRHR1 AGONISTS FOR USE IN THE TREATMENT OF SOCIAL ANXIETY DISORDERS Consejo Superior de Investigaciones Cientificas (ES) 2025-03-05 EP disclosed
CN-116407634-A Application of substances for increasing C-terminal content of Slack protein 北京大学 2023-07-11 CN disclosed
US-11490856-B2 Method and a system for analyzing neuropharmacology of a drug CITY UNIVERSITY OF HONG KONG (HK) 2022-11-08 US disclosed