SCHEMBL30876136

SCHEMBL30876136

CC[C@@H](C)NC(=O)[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.86
CYP2D6 P10635 6/20 0.86
MEN1 O00255 6/20 0.86
KMT2A Q03164 6/20 0.86
ALDH1A1 P00352 6/20 0.86
KDM4E B2RXH2 5/20 0.86
MAPT P10636 5/20 0.86
HPGD P15428 4/20 0.86
CYP3A4 P08684 2/20 0.86
ADRA2A P08913 2/20 0.86
DRD2 P14416 2/20 0.86
ADRA2B P18089 2/20 0.86
DRD1 P21728 2/20 0.86
HTR2A P28223 2/20 0.86
HTR2C P28335 2/20 0.86
DRD3 P35462 2/20 0.86
HTR2B P41595 2/20 0.86
RECQL P46063 2/20 0.86
HTR6 P50406 2/20 0.86
CASP1 P29466 1/20 0.86

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
SCHEMBL30886871 1.00 HSD17B10 (0.86) HSD17B10CYP2D6MEN1KMT2AALDH1A1
SCHEMBL30027147 1.00 HSD17B10 (0.86) HSD17B10CYP2D6MEN1KMT2AALDH1A1
SCHEMBL30876124 1.00 HSD17B10 (0.86) HSD17B10CYP2D6MEN1KMT2AALDH1A1
SCHEMBL24635620 1.00 HSD17B10 (0.86) HSD17B10CYP2D6MEN1KMT2AALDH1A1
SCHEMBL30027614 1.00 HSD17B10 (0.86) HSD17B10CYP2D6MEN1KMT2AALDH1A1
SCHEMBL24635619 1.00 HSD17B10 (0.86) HSD17B10CYP2D6MEN1KMT2AALDH1A1
SCHEMBL7517139 1.00 HSD17B10 (0.86) HSD17B10CYP2D6MEN1KMT2AALDH1A1
SCHEMBL24635666 0.94 HSD17B10 (0.85) HSD17B10CYP2D6MEN1KMT2AALDH1A1
SCHEMBL24635650 0.94 HSD17B10 (0.85) HSD17B10CYP2D6MEN1KMT2AALDH1A1
SCHEMBL30027989 0.94 HSD17B10 (0.85) HSD17B10CYP2D6MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4704846-A2 NOVEL ERGOLINES AND METHODS OF TREATING MOOD DISORDERS Gilgamesh Pharmaceuticals, Inc. (US) 2026-03-11 EP disclosed
EP-4608829-A2 NOVEL ERGOLINES AND METHODS OF TREATING MOOD DISORDERS Gilgamesh Pharmaceuticals, Inc. (US) 2025-09-03 EP disclosed
WO-2024229454-A2 NOVEL ERGOLINES AND METHODS OF TREATING MOOD DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2024-11-07 WO disclosed
WO-2024091506-A2 NOVEL ERGOLINES AND METHODS OF TREATING MOOD DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2024-05-02 WO disclosed