SCHEMBL10502431

SCHEMBL10502431

Cc1nc(N2CCC(Cc3ccccc3)CC2)ncc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
MAPT P10636 4/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47
SCN9A Q15858 1/20 0.46
SLC18A3 Q16572 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CCR3 P51677 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2B P41595 1/20 0.43
MAPK14 Q16539 1/20 0.43
CHRM3 P20309 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 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
SCHEMBL10503072 0.86 SLC18A3 (0.48) TSHRSLC18A3CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL10502735 0.85 SLC18A3 (0.47) TSHRSLC18A3CYP2C9CYP2C19KDM4E
SCHEMBL8119586 0.75 TSHR (0.64) TSHRMAPTSMN1; SMN2LMNACCR3
SCHEMBL19135757 0.74 SLC6A2 (0.53) TSHRMAPTSMN1; SMN2LMNACCR3
SCHEMBL29732670 0.73 POLB (0.55) MAPTSMN1; SMN2
SCHEMBL11321905 0.73 TSHR (0.58) TSHRMAPTSMN1; SMN2LMNACCR3
SCHEMBL14503465 0.73 TSHR (0.74) TSHRMAPTSMN1; SMN2LMNASLC18A3
SCHEMBL26077302 0.72 POLB (0.62) TSHRMAPTSMN1; SMN2
SCHEMBL973782 0.71 MMP2 (0.51) TSHRMAPTSCN9ACYP2C9CYP2C19
SCHEMBL31181057 0.70 POLB (0.41) TSHRMAPTSMN1; SMN2CYP2C19MEN1

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
EP-0138464-B1 2-AMINO-5-HYDROXY-4-METHYLPYRIMIDINE DERIVATIVES PFIZER INC. (US) 1989-11-15 EP disclosed
US-4673677-A 2-AMINO-5-HYDROXY-4-METHYLPYRIMIDINE PFIZER INC. (US) 1987-06-16 US disclosed
US-4554276-A ENZYME INHIBITORS, ANTIULCER AGENTS PFIZER INC. (US) 1985-11-19 US disclosed
EP-0138464-A2 2-Amino-5-hydroxy-4-methylpyrimidine derivatives PFIZER INC. (US) 1985-04-24 EP disclosed