SCHEMBL16675702

SCHEMBL16675702

CNc1cccc(N2CC[C@H](N(C)C)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.46
SETD2 Q9BYW2 2/20 0.43
NSD2 O96028 1/20 0.43
JAK2 O60674 1/20 0.42
BRD4 O60885 1/20 0.42
HTR2B P41595 2/20 0.41
HTR6 P50406 2/20 0.41
SOS1 Q07889 2/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL12027636 1.00 MCHR1 (0.46) MCHR1SETD2NSD2JAK2BRD4
SCHEMBL27959338 1.00 MCHR1 (0.46) MCHR1SETD2NSD2JAK2BRD4
SCHEMBL1749702 0.82 MCHR1 (0.55) MCHR1
SCHEMBL16675746 0.81 PDK2 (0.42)
SCHEMBL16675693 0.81 ADRA2C (0.50) MCHR1HTR2BHTR6KCNH2
SCHEMBL14980549 0.81 NOTUM (0.57) MCHR1HTR2BHTR6SOS1KCNH2
SCHEMBL12027635 0.81 ADRA2C (0.50) MCHR1HTR2BHTR6KCNH2
SCHEMBL19476382 0.80 JAK2 (0.49) JAK2BRD4
SCHEMBL4186891 0.79 NPY5R (0.48) MCHR1HTR2BHTR6SOS1KCNH2
SCHEMBL16719407 0.78 MCHR1 (0.56) MCHR1HTR6KCNH2

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-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed