SCHEMBL11066536

SCHEMBL11066536

COc1ccc(C(O)CCCCCN2CCC(Oc3cc(C(F)(F)F)c4ccccc4c3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
HTR1A P08908 3/20 0.40
HRH3 Q9Y5N1 2/20 0.39
MCHR1 Q99705 1/20 0.39
ESR1 P03372 1/20 0.38
KCNH2 Q12809 1/20 0.38
SOS1 Q07889 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
SCHEMBL11072794 0.89 KCNH2 (0.42) MEN1KMT2ASIGMAR1HTR1AMCHR1
SCHEMBL11068654 0.84 HTR1A (0.43) MEN1KMT2AHTR1AMCHR1KCNH2
SCHEMBL11066882 0.84 CYP2J2 (0.51) KMT2ASIGMAR1HTR1AKCNH2
SCHEMBL11068619 0.75 KDM4E (0.45) HRH3KCNH2SOS1
Hydrochloric Acid SCHEMBL11067172 0.74 SMN1; SMN2 (0.46) MEN1KMT2AHRH3KCNH2SOS1
SCHEMBL11070666 0.74 SIGMAR1 (0.48) SIGMAR1
SCHEMBL11065672 0.74 MEN1 (0.50) MEN1KMT2AHTR1AMCHR1KCNH2
SCHEMBL11353192 0.73 GRIN2B (0.46) MEN1KMT2AHTR1AKCNH2
SCHEMBL11358395 0.72 HTR2A (0.53) SIGMAR1
SCHEMBL11359393 0.72 CYP2J2 (0.50) KMT2AMCHR1

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-4443462-A Antipsychotic 4-(naphthalenyloxy)piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1984-04-17 US disclosed