SCHEMBL8722754

SCHEMBL8722754

O=CN1CCN(c2cc(Cl)cnn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.34
▸ GLS O94925 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ PDGFRB P09619 2/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ RET P07949 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8722753 0.79 TRPV1 (0.34) TRPV1GLSCHRNB2CHRNA4
SCHEMBL18790715 0.75 CHRNB2 (0.53) CHRNB2CHRNA4KDM4EALDH1A1
SCHEMBL27829815 0.71 PHGDH (0.43) RAB9AKDM4EMAPTLMNAALDH1A1
SCHEMBL22812290 0.70 PANK3 (0.44) RAB9ARETKDM4EMAPTLMNA
SCHEMBL27702526 0.70 SLC6A7 (0.52) TRPV1PDGFRBERBB2RETFGFR1
SCHEMBL13801242 0.70 CHRM2 (0.53) RAB9APDGFRBERBB2RETFGFR1
SCHEMBL38663361 0.69 CKS1B (0.49) TRPV1RETMAPTLMNAALDH1A1
SCHEMBL11557829 0.69 HTR2A (0.58) RAB9AL3MBTL1KDM4EMAPTALDH1A1
SCHEMBL6371066 0.67 HTR3A (0.68) RAB9AKDM4EALDH1A1NPC1
SCHEMBL29544097 0.67 HRH4 (0.47) GLS

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
US-5776936-A Marcfortine/paraherquamide derivatives useful as antiparasitic agents PHARMACIA & UPJOHN COMPANY (US) 1998-07-07 — — US claimed
US-5776936-A Marcfortine/paraherquamide derivatives useful as antiparasitic agents PHARMACIA & UPJOHN COMPANY (US) 1998-07-07 — — US disclosed
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