SCHEMBL9017801

SCHEMBL9017801

O=C(c1cccc(Cl)c1Cl)C1CCCNC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.55
SLC6A4 P31645 11/20 0.55
SLC6A3 Q01959 11/20 0.55
KCNH2 Q12809 6/20 0.55
OPRK1 P41145 1/20 0.48
P2RX7 Q99572 1/20 0.48
TSHR P16473 2/20 0.46
SLC6A1 P30531 2/20 0.46
SLC6A11 P48066 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC6A13 Q9NSD5 1/20 0.46
CXCR2 P25025 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
CYP2D6 P10635 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42

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
SCHEMBL4755192 0.87 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL26085824 0.79 KDM4E (0.49) TSHRSLC6A1SLC6A11LMNASMN1; SMN2
SCHEMBL4748847 0.79 KAT7 (0.44) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL4779495 0.78 SLC6A1 (0.42) SLC6A2SLC6A4SLC6A3KCNH2TSHR
SCHEMBL4776325 0.78 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL3963692 0.77 KDM2B (0.55) LMNAKMT2A
SCHEMBL8240374 0.77 KDM2B (0.55) LMNAKMT2A
SCHEMBL5593543 0.75 EED (0.52) SLC6A2SLC6A4SLC6A3KCNH2TSHR
SCHEMBL4671412 0.75 MGLL (0.49) TSHRSLC6A1SLC6A11LMNASMN1; SMN2
SCHEMBL4972870 0.74 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3KCNH2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0599886-A4 MACROMONOMERS HAVING REACTIVE END GROUPS. MAXDEM INC (US) 1996-07-24 EP disclosed
EP-0646143-A4 MACROMONOMERS HAVING REACTIVE SIDE GROUPS. MAXDEM INC (US) 1996-07-24 EP disclosed
EP-0646143-A1 MACROMONOMERS HAVING REACTIVE SIDE GROUPS MAXDEM INCORPORATED (US) 1995-04-05 EP disclosed
WO-1994024717-A1 SULFONATED POLYMERS FOR SOLID POLYMER ELECTROLYTES MAXDEM INCORPORATED (US) 1994-10-27 WO disclosed
EP-0599886-A1 MACROMONOMERS HAVING REACTIVE END GROUPS MAXDEM INCORPORATED (US) 1994-06-08 EP disclosed
WO-1993004099-A1 MACROMONOMERS HAVING REACTIVE END GROUPS MAXDEM INCORPORATED (US) 1993-03-04 WO disclosed
WO-1993004098-A1 MACROMONOMERS HAVING REACTIVE SIDE GROUPS MAXDEM INCORPORATED (US) 1993-03-04 WO disclosed