SCHEMBL2631406

SCHEMBL2631406

O=C(O)CCCCCNC(=O)C(Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 4/20 0.48
▸ FOLH1 Q04609 2/20 0.47
▸ PTPN1 P18031 2/20 0.46
▸ CHRNA1 P02708 1/20 0.45
▸ CHRNG P07510 1/20 0.45
▸ CHRNB1 P11230 1/20 0.45
▸ CHRND Q07001 1/20 0.45
▸ PSEN1 P49768 1/20 0.44
▸ PSEN2 P49810 1/20 0.44
▸ APH1B Q8WW43 1/20 0.44
▸ NCSTN Q92542 1/20 0.44
▸ APH1A Q96BI3 1/20 0.44
▸ PSENEN Q9NZ42 1/20 0.44

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
SCHEMBL12384333 1.00 GRIA1 (0.48) GRIA1FOLH1PTPN1CHRNA1CHRNG
SCHEMBL21881743 0.90 FOLH1 (0.50) GRIA1FOLH1PTPN1CHRNA1CHRNG
SCHEMBL2631415 0.84 HDAC3 (0.42) GRIA1PTPN1CHRNA1CHRNGCHRNB1
SCHEMBL12384334 0.84 HDAC3 (0.42) GRIA1PTPN1CHRNA1CHRNGCHRNB1
SCHEMBL2099399 0.79 NPSR1 (0.56) PTPN1
SCHEMBL2099396 0.79 NPSR1 (0.56) PTPN1
SCHEMBL14761090 0.74 CHRNB2 (0.63) GRIA1PTPN1CHRNA1CHRNGCHRNB1
SCHEMBL14761872 0.74 CHRNB2 (0.63) GRIA1PTPN1CHRNA1CHRNGCHRNB1
SCHEMBL14761840 0.74 CHRNB2 (0.63) GRIA1PTPN1CHRNA1CHRNGCHRNB1
SCHEMBL14761539 0.74 CHRNB2 (0.63) GRIA1PTPN1CHRNA1CHRNGCHRNB1

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-7476661-B2 Regulators of the hedgehog pathway, compositions and uses related thereto JOHN HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2009-01-13 — — US disclosed
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