SCHEMBL5884334

SCHEMBL5884334

COc1cccc(CC2=C(c3ccccc3CN(C)C)CCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BACE1 P56817 1/20 0.40
HTR1B P28222 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LTA4H P09960 1/20 0.38
HTR7 P34969 1/20 0.38
GRM5 P41594 1/20 0.38
EED O75530 1/20 0.38
AOC3 Q16853 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL5885013 0.81 BACE1 (0.50) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL6142637 0.74 CALM1 (0.43) CALM1CAMKK2MEN1KMT2AHTR1B
SCHEMBL6048529 0.72 BACE1 (0.58) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7752297 0.71 MAOB (0.41) CALM1CAMKK2MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6048554 0.71 BACE1 (0.57) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL19912625 0.71 ABCB1 (0.59) CALM1CAMKK2AOC3CYP2D6HTR2A
SCHEMBL850832 0.69 CALM1 (0.64) CALM1CAMKK2MEN1KMT2ASIGMAR1
SCHEMBL29547354 0.69 CALM1 (0.64) CALM1CAMKK2MEN1KMT2ASIGMAR1
SCHEMBL5158056 0.69 CASR (0.43) CALM1CAMKK2SLC6A2SLC6A4MEN1
SCHEMBL17318392 0.67 CYP1A2 (0.47) MEN1KMT2A

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-7064236-B2 Substituted 1-aryl-but-3-enylamine and 1-aryl-but-2-enylamine compounds GRUNENTHAL GMBH (DE) 2006-06-20 US claimed