SCHEMBL30404185

SCHEMBL30404185

COc1ccc2c(ccn2C2CC(N(C)C)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.42
▸ HTR6 P50406 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTR2A P28223 2/20 0.38
▸ TFPI2 P48307 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ TUBB1 Q9H4B7 1/20 0.37
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ FABP4 P15090 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PRMT5 O14744 2/20 0.35
▸ SLC6A4 P31645 1/20 0.34

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
SCHEMBL24110590 1.00 HTR2C (0.42) HTR2CHTR6POLBL3MBTL1HTR2A
SCHEMBL24110627 1.00 HTR2C (0.42) HTR2CHTR6POLBL3MBTL1HTR2A
SCHEMBL24109843 1.00 HTR2C (0.42) HTR2CHTR6POLBL3MBTL1HTR2A
SCHEMBL24109861 0.89 HTR2A (0.47) HTR2CHTR6HTR2ATFPI2ROCK1
SCHEMBL24110281 0.85 TFPI2 (0.42) HTR2CHTR2ATFPI2MEN1ALDH1A1
SCHEMBL24110321 0.83 FFAR4 (0.38) ROCK1
SCHEMBL24109771 0.82 TFPI2 (0.37) TFPI2
SCHEMBL24109875 0.81 HTR2A (0.37) HTR2CHTR2ATFPI2ROCK1FABP4
SCHEMBL24109711 0.81 HTR2C (0.42) HTR2CHTR6POLBL3MBTL1HTR2A
SCHEMBL25820772 0.81 HTR2C (0.42) HTR2CHTR6POLBL3MBTL1HTR2A

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-4165049-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF Delix Therapeutics, Inc. (US) 2023-04-19 — — EP disclosed
Send feedback