SCHEMBL13974809

SCHEMBL13974809

CCN(C)CCc1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.56
▸ SIGMAR1 Q99720 2/20 0.51
▸ HTR2A P28223 2/20 0.50
▸ HTR2C P28335 2/20 0.50
▸ HTR2B P41595 2/20 0.50
▸ CALM1 P0DP23 1/20 0.49

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
SCHEMBL20689720 0.86 TAAR1 (0.54) TAAR1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL30101707 0.85 TAAR1 (0.61) TAAR1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL25519810 0.85 TAAR1 (0.61) TAAR1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL8828180 0.82 TAAR1 (0.62) TAAR1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL31143720 0.80 TAAR1 (0.62) TAAR1CALM1
SCHEMBL429483 0.79 TAAR1 (0.67) TAAR1CALM1
SCHEMBL25900484 0.79 TAAR1 (0.50) TAAR1HTR2AHTR2CHTR2B
SCHEMBL108087 0.78 TAAR1 (0.77) TAAR1CALM1
SCHEMBL24883650 0.78 TAAR1 (0.53) TAAR1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL11698777 0.78 HTR2A (0.59) HTR2AHTR2CHTR2B

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-2012158784-A2 MODULATORS OF THE NUCLEAR HORMONE RECEPTOR ROR KAMENECKA THEODORE MARK (US) 2012-11-22 — — WO disclosed
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