SCHEMBL38658449

SCHEMBL38658449

O=CN1CCCC2(CC2)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.33
TSHR P16473 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C19 P33261 3/20 0.32
USP2 O75604 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 2/20 0.31
HIF1A Q16665 1/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL38657821 0.95 GRM5 (0.33) GRM5TSHRCYP3A4CYP2C19USP2
SCHEMBL38659539 0.88 HSD11B1 (0.34) GRM5TSHRCYP3A4CYP2C19USP2
SCHEMBL31558702 0.88 SPR (0.33) CYP3A4CYP2C19USP2CYP1A2HIF1A
SCHEMBL17850612 0.87
SCHEMBL2386472 0.85 CYP2D6 (0.49) TSHRCYP3A4CYP2C19USP2ALDH1A1
SCHEMBL38657618 0.82 FFAR2 (0.30)
SCHEMBL30968095 0.82 CYP2D6 (0.33) TSHRCYP3A4CYP2C19USP2ALDH1A1
SCHEMBL21581449 0.81 USP2 (0.45) TSHRCYP3A4CYP2C19USP2ALDH1A1
SCHEMBL38658469 0.78 TSHR (0.42) TSHRCYP3A4CYP2C19USP2ALDH1A1
SCHEMBL3342266 0.73

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-3723754-B1 IMIDAZO [1,2-C] QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME LLC (US) 2026-05-13 EP claimed