SCHEMBL17810219

SCHEMBL17810219

Cc1c(CO)nc2ccc(I)cn12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ APP P05067 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NOTUM Q6P988 1/20 0.30
▸ NR1H4 Q96RI1 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL1500061 0.85 MCHR1 (0.41) PDE10AKDM4EAPPMCHR1CYP11B1
SCHEMBL17810131 0.85 APP (0.32) ALDH1A1APPMCHR1CYP11B1CYP11B2
SCHEMBL17810161 0.84 MCHR1 (0.34) APPMCHR1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL17810133 0.83 APP (0.35) APPMCHR1CYP11B1CYP11B2NR1H4
SCHEMBL16462409 0.80 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2NOTUMPOLB
SCHEMBL7998877 0.77 MCHR1 (0.36) ALDH1A1APPMCHR1CYP11B1CYP11B2
SCHEMBL15416735 0.77 GAA (0.35) PDE10AALDH1A1KDM4EAPPRAB9A
SCHEMBL15112575 0.75 CYP11B1 (0.35) ALDH1A1KDM4EAPPCYP11B1CYP11B2
SCHEMBL22363049 0.74 USP7 (0.40) APPCYP11B1CYP11B2
SCHEMBL4311336 0.73 SMN1; SMN2 (0.45) ALDH1A1KDM4EMCHR1RAB9ASMN1; SMN2

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
US-9365540-B2 Benzimidazole derivatives as MCH receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-14 — — US disclosed
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