SCHEMBL22452018

SCHEMBL22452018

CCc1ccc(C)c(/C=C\C[C@@H](C)Cc2ccccc2)c1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SIGMAR1 Q99720 3/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ HTR2A P28223 3/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL23761894 0.73 TYMP (0.33) —
SCHEMBL22190437 0.72 HTR2A (0.59) TAAR1MEN1KMT2ASIGMAR1SLC6A2
SCHEMBL21569429 0.72 HTR2A (0.59) TAAR1MEN1KMT2ASIGMAR1SLC6A2
SCHEMBL10454603 0.67 TRPA1 (0.46) TAAR1MEN1KMT2ASIGMAR1SLC6A2
SCHEMBL10454604 0.67 TRPA1 (0.46) TAAR1MEN1KMT2ASIGMAR1SLC6A2
SCHEMBL25209356 0.66 TAAR1 (0.53) TAAR1MEN1KMT2ASIGMAR1SLC6A2
SCHEMBL7354997 0.66 TAAR1 (0.53) TAAR1MEN1KMT2ASIGMAR1SLC6A2
SCHEMBL11570178 0.65 TAAR1 (0.47) TAAR1MEN1KMT2ASIGMAR1SLC6A2
SCHEMBL10454441 0.64 TAAR1 (0.46) TAAR1MEN1KMT2ASIGMAR1SLC6A2
SCHEMBL28061145 0.63 CYP3A4 (0.37) NPC1RAB9A

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
WO-2020190791-A1 INHIBITING CYCLIC AMP-RESPONSIVE ELEMENT-BINDING PROTEIN (CREB) FORMA THERAPEUTICS, INC. (US) 2020-09-24 — — WO disclosed
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