SCHEMBL31408706

SCHEMBL31408706

CN(C)CCN(Cc1ccccc1O)Cc1ccccc1O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.49
HTR2A P28223 1/20 0.46
HSPA5 P11021 1/20 0.45
TSHR P16473 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
TAAR1 Q96RJ0 4/20 0.40
MEN1 O00255 1/20 0.40
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40
TNNC1 P63316 1/20 0.40
KMT2A Q03164 1/20 0.40
CALM1 P0DP23 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
AKR1B1 P15121 1/20 0.39

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
SCHEMBL9395374 0.90 HSPA5 (0.54) HTR1AHSPA5TSHRKDM4ECYP2D6
SCHEMBL15483822 0.87 HTR1A (0.47) HTR1AHSPA5TSHRCYP2D6HIF1A
SCHEMBL12858626 0.85 MEN1 (0.53) HTR1AHTR2AHSPA5TSHRALDH1A1
SCHEMBL20175942 0.82 TSHR (0.59) HTR1AHSPA5TSHRKDM4EALDH1A1
SCHEMBL27361901 0.82 HTR1A (0.70) HTR1AHSPA5TSHRCYP2D6HIF1A
SCHEMBL116610 0.81 ALDH1A1 (0.56) HTR1AHTR2AHSPA5TSHRKDM4E
SCHEMBL29354255 0.81 ALDH1A1 (0.56) HTR1AHTR2AHSPA5TSHRKDM4E
SCHEMBL15283002 0.81 HSPA5 (0.59) HTR1AHSPA5TSHRKDM4EALDH1A1
SCHEMBL13051280 0.81 TSHR (0.58) HTR1AHSPA5TSHRKDM4EALDH1A1
SCHEMBL9388579 0.80 TSHR (0.53) HTR1AHTR2AHSPA5TSHRKDM4E

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
EP-4534577-A1 NON-TOXIC LATENT POLYMERIZATION CATALYSTS FOR POLYURETHANES BASED ON TIN (IV) CHELATE COMPLEXES Tech Synt Ltd (GB) 2025-04-09 EP disclosed