SCHEMBL8527274

SCHEMBL8527274

O=C(NCCOc1ccc(Cl)c2[nH]ccc12)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
P2RX7 Q99572 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7207553 0.75 GPR84 (0.41) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL7207549 0.72 DRD4 (0.64) KMT2A
SCHEMBL6870381 0.70 EGFR (0.38) SMN1; SMN2
SCHEMBL29503015 0.66 GPR84 (0.47) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL18702895 0.66 GPR84 (0.47) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL8984678 0.66 MTNR1A (0.74)
SCHEMBL1013714 0.65 NR3C1 (0.40) KMT2AMEN1MAPTRAB9AP2RX7
SCHEMBL8311758 0.65 ALDH1A1 (0.38) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL6382771 0.65 MTNR1A (0.65) PKMNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL6565977 0.63 TSHR (0.58) RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923548-A1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT 1A? LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-06-23 EP disclosed
WO-1998008817-A1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT1A LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-05 WO disclosed