SCHEMBL4767370

SCHEMBL4767370

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1ccccc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ ATM Q13315 1/20 0.58
▸ CREBBP Q92793 1/20 0.55
▸ APOB P04114 2/20 0.52
▸ MTTP P55157 1/20 0.52
▸ TP53 P04637 3/20 0.50
▸ NPC1 O15118 4/20 0.49
▸ HTT P42858 4/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ NFKB1 P19838 2/20 0.49
▸ NFKB2 Q00653 2/20 0.49
▸ RELA Q04206 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNB4 P30926 1/20 0.49
▸ CHRNA3 P32297 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49
▸ AVPR2 P30518 2/20 0.48

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
Trifluoroacetic Acid SCHEMBL4765546 0.94 MEN1 (0.53) MEN1KMT2AATMCREBBPAPOB
SCHEMBL4768623 0.85 RAB9A (0.58) CREBBPTP53NPC1HTTRAB9A
SCHEMBL4770555 0.85 NPC1 (0.51) MEN1KMT2AATMTP53NPC1
SCHEMBL4768583 0.83 TMPRSS2 (0.62) MEN1KMT2AATMTP53NPC1
SCHEMBL4777053 0.82 HRH3 (0.57) MEN1KMT2AATMTP53NPC1
SCHEMBL4765318 0.82 MEN1 (0.56) MEN1KMT2AATMTP53NPC1
SCHEMBL4768212 0.82 NPC1 (0.58) MEN1KMT2AATMTP53NPC1
SCHEMBL4772451 0.82 TP53 (0.53) MEN1KMT2AATMTP53NPC1
SCHEMBL8208363 0.81 MTTP (0.57) APOBMTTPSMN1; SMN2MAPTSMO
SCHEMBL4770439 0.81 HRH3 (0.52) MEN1KMT2ATP53NPC1HTT

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
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 — — EP claimed
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