SCHEMBL31333302

SCHEMBL31333302

CC(C)(C)OC(=O)NCC1CCC(N2CC=C(c3ccc([N+](=O)[O-])cc3F)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.42
▸ CDK9 P50750 8/20 0.38
▸ CCNT1 O60563 6/20 0.38
▸ ACACB O00763 4/20 0.38
▸ CCRL2 O00421 1/20 0.37
▸ ACACA Q13085 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35

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
SCHEMBL31334454 0.88 DRD2 (0.49) DRD2CDK9CCNT1CCRL2ALDH1A1
SCHEMBL31333879 0.85 CDK9 (0.40) DRD2CDK9CCNT1ALDH1A1MAPT
SCHEMBL31333420 0.85 CDK9 (0.40) DRD2CDK9CCNT1ALDH1A1MAPT
SCHEMBL31334991 0.81 DRD2 (0.47) DRD2ACACBALDH1A1MEN1MAPT
SCHEMBL31333847 0.80 DRD2 (0.58) DRD2CDK9CCNT1ALDH1A1
SCHEMBL31333813 0.78 ALDH1A1 (0.44) DRD2ACACBACACAALDH1A1MAPT
SCHEMBL13419653 0.77 ALDH1A1 (0.48) DRD2ACACBACACAALDH1A1MAPT
SCHEMBL10036172 0.77 SLC6A4 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL31334397 0.75 DRD2 (0.59) DRD2ACACBACACAALDH1A1MEN1
SCHEMBL10036179 0.75 PDK4 (0.51) CDK9CCNT1ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 — — EP disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 — — WO disclosed
Send feedback