SCHEMBL25625115

SCHEMBL25625115

C=CCCC(C(=C)NC)N1Cc2cc(C3CCN(Cc4ccc(-c5ccccc5)cc4)CC3)ccc2C1=C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.36
▸ DRD2 P14416 3/20 0.36
▸ CCR5 P51681 7/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ IKZF1 Q13422 2/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ HTR2B P41595 1/20 0.33

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
SCHEMBL24790875 0.89 PRKAA2 (0.35) MCHR1
SCHEMBL25619901 0.88 IKZF1 (0.35) DRD2CCR5MEN1KMT2AIKZF1
SCHEMBL24790325 0.83 DRD2 (0.39) DRD2CCR5HDAC1KCNH2
SCHEMBL24790866 0.81 DRD2 (0.39) DRD2CCR5HDAC1
SCHEMBL24791545 0.81 IKZF2 (0.38) DRD2HDAC1IKZF1
SCHEMBL25625082 0.81 IKZF1 (0.43) DRD2CCR5HDAC1MEN1KMT2A
SCHEMBL25624857 0.80 IKZF2 (0.42) DRD2CCR5IKZF1
SCHEMBL24790272 0.80 IKZF1 (0.35) DRD2IKZF1
SCHEMBL24790924 0.78 KDM4E (0.38) CCR5KMT2A
SCHEMBL24790317 0.76 CACNA2D1 (0.32) DRD2IKZF1

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-4183782-A1 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DI ONE DERIVATIVES AND USES THEREOF Novartis AG (CH) 2023-05-24 — — EP disclosed
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