SCHEMBL31419982

SCHEMBL31419982

CN(Cc1ccccc1)C[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CNR2 P34972 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.48
LMNA P02545 2/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
GAA P10253 1/20 0.46
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
PYCR1 P32322 1/20 0.44
AOC3 Q16853 2/20 0.44
DNM1 Q05193 1/20 0.43

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
SCHEMBL13993320 0.85 KDM4E (0.70) MEN1KMT2AKDM4ESMN1; SMN2CNR2
SCHEMBL14274010 0.85 KDM4E (0.70) MEN1KMT2AKDM4ESMN1; SMN2CNR2
SCHEMBL28339091 0.85 KDM4E (0.70) MEN1KMT2AKDM4ESMN1; SMN2CNR2
SCHEMBL7099619 0.84 KDM4E (0.56) MEN1KMT2AKDM4ESMN1; SMN2CNR2
SCHEMBL28993748 0.84 KDM4E (0.56) MEN1KMT2AKDM4ESMN1; SMN2CNR2
SCHEMBL28339075 0.84 TAAR1 (0.67) MEN1KMT2AKDM4ESMN1; SMN2CNR2
SCHEMBL25159695 0.84 MEN1 (0.66) MEN1KMT2AKDM4ESMN1; SMN2CNR2
SCHEMBL28169242 0.84 MEN1 (0.66) MEN1KMT2AKDM4ESMN1; SMN2CNR2
Hydrochloric Acid SCHEMBL7106622 0.83 KDM4E (0.54) MEN1KMT2AKDM4ESMN1; SMN2CNR2
SCHEMBL28168731 0.83 MEN1 (0.54) MEN1KMT2AKDM4ESMN1; SMN2CNR2

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-2025059259-A1 NEW PROCESS FOR PHENYLEPHRINE AND SALBUTAMOL AND RELATED COMPOUNDS VIA ASYMETRIC TRANSFER HYDROGENATION OF UNPROTECTED AMINO KETONES VIRGINIA COMMONWEALTH UNIVERSITY (US) 2025-03-20 WO disclosed