SCHEMBL7046652

SCHEMBL7046652

CCCc1c(C(=O)NCC2CCCC2)n(N)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.47
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ HTR4 Q13639 6/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6746510 0.99 P2RX7 (0.48) P2RX7KMT2ANPC1HTR4MEN1
SCHEMBL7046082 0.98 P2RX7 (0.44) P2RX7KMT2ANPC1HTR4CNR1
SCHEMBL7044448 0.95 HTR4 (0.41) P2RX7HTR4
SCHEMBL4610877 0.76 KMT2A (0.51) KMT2ANPC1MEN1KDM4ESMN1; SMN2
SCHEMBL7046661 0.76 P2RX7 (0.49) P2RX7KMT2AHTR4MEN1
SCHEMBL7959599 0.75 P2RX7 (0.51) P2RX7KMT2ANPC1HTR4MEN1
SCHEMBL6746518 0.75 P2RX7 (0.51) P2RX7KMT2ANPC1HTR4MEN1
SCHEMBL7044113 0.75 ALDH1A1 (0.52) KMT2ANPC1MEN1KDM4ESMN1; SMN2
SCHEMBL4613206 0.75 MEN1 (0.41) KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL4612617 0.74 MEN1 (0.52) KMT2ANPC1MEN1KDM4E

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-1460064-A1 Indole-2-carboxamide derivatives useful as beta-2 agonists Pfizer Limited (GB) 2004-09-22 — — EP claimed
EP-1460064-A1 Indole-2-carboxamide derivatives useful as beta-2 agonists Pfizer Limited (GB) 2004-09-22 — — EP disclosed
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