SCHEMBL4765323

SCHEMBL4765323

C[C@H]1CCCN1.Cc1nc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 3/20 0.48
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
TRPC3 Q13507 1/20 0.44
LMNA P02545 1/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ABCB11 O95342 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 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
SCHEMBL4763609 1.00 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL29391888 0.80 RAB9A (0.66) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL111276 0.80 RAB9A (0.66) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Pyrrolidine SCHEMBL4830345 0.79 RAB9A (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL3713896 0.78 RAB9A (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8422522 0.78 RAB9A (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL32682822 0.78 RAB9A (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Water SCHEMBL3067921 0.78 RAB9A (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2146975 0.78 RAB9A (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28358936 0.78 RAB9A (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 EP disclosed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 WO disclosed