SCHEMBL7864641

SCHEMBL7864641

C[N]Cc1cc(Cl)cc(Cl)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 5/20 0.49
CYP2D6 P10635 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 2/20 0.47
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.36
GAA P10253 2/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL14612615 0.80 KMT2A (0.54) KMT2ACYP1A2CYP2D6SMN1; SMN2MEN1
SCHEMBL7873147 0.78 KMT2A (0.57) KMT2ACYP1A2CYP2D6SMN1; SMN2MEN1
SCHEMBL7873156 0.78 KMT2A (0.53) KMT2ACYP1A2CYP2D6SMN1; SMN2MEN1
SCHEMBL6407105 0.78 KMT2A (0.61) KMT2ACYP1A2CYP2D6SMN1; SMN2MEN1
SCHEMBL54507 0.76 KMT2A (0.47) KMT2ACYP1A2CYP2D6SMN1; SMN2MEN1
SCHEMBL8427155 0.76 KMT2A (0.54) KMT2ACYP1A2CYP2D6SMN1; SMN2MEN1
SCHEMBL4832145 0.76 KMT2A (0.62) KMT2ACYP1A2CYP2D6SMN1; SMN2MEN1
SCHEMBL11125228 0.73 KMT2A (0.51) KMT2ACYP1A2CYP2D6SMN1; SMN2MEN1
Benzene SCHEMBL29202175 0.72 KMT2A (0.50) KMT2ACYP1A2CYP2D6SMN1; SMN2MEN1
Ethylene SCHEMBL28106925 0.72 KMT2A (0.44) KMT2ACYP1A2CYP2D6SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP claimed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO claimed
EP-0808303-B1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ASTRAZENECA AB (SE) 2001-06-20 EP disclosed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP disclosed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO disclosed