SCHEMBL21281595

SCHEMBL21281595

Cc1ccc(N2CCN(c3ccc4ccn([C@H]5C[C@H](N(C)Cc6ccccc6)C5)c4n3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CNR2 P34972 3/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ AURKA O14965 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RORC P51449 2/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ CETP P11597 1/20 0.32
▸ NAPEPLD Q6IQ20 1/20 0.32

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
SCHEMBL21281594 0.89 AURKA (0.33) CNR2CNR1AURKACDK4POLB
SCHEMBL21274382 0.88 GPR119 (0.39) CNR2CNR1RORC
SCHEMBL21273979 0.88 GPR119 (0.39) CNR2CNR1RORC
SCHEMBL22801947 0.88 GPR119 (0.39) CNR2CNR1RORC
SCHEMBL21285514 0.85 JAK2 (0.35) CNR2CNR1AURKACDK4RORC
SCHEMBL21281590 0.79 PARP1 (0.36) LMNAAURKACDK4
SCHEMBL21285460 0.76 AURKA (0.47) MAPTAURKACDK4
SCHEMBL22801915 0.73 GPR119 (0.41) TP53
SCHEMBL22801952 0.73 GPR119 (0.41) TP53
SCHEMBL21274013 0.73 GPR119 (0.41) TP53

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-3527209-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SPRL (BE) 2019-08-21 — — EP disclosed
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