SCHEMBL30711285

SCHEMBL30711285

O=C(O)c1ccc([C@@H]2CC(c3cncnc3)CCN2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.39
▸ CHRNB2 P17787 3/20 0.36
▸ CHRNA4 P43681 3/20 0.36
▸ P2RY14 Q15391 3/20 0.34
▸ CHRNA7 P36544 2/20 0.33
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ HCAR3 P49019 1/20 0.33

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
SCHEMBL30711273 0.87 CHRNB2 (0.51) HCAR2CHRNB2CHRNA4CHRNA7CYP2D6
SCHEMBL30711292 0.86 P2RY14 (0.42) P2RY14CYP2D6MEN1KMT2A
SCHEMBL30711259 0.85 AKR1C3 (0.44) P2RY14CYP2D6
SCHEMBL30711363 0.83 HSD11B1 (0.38) P2RY14PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL30711375 0.83 HCAR2 (0.40) HCAR2CHRNB2CHRNA4P2RY14CHRNA7
SCHEMBL30711384 0.82 HCAR2 (0.39) HCAR2P2RY14CYP2D6CCNA2CDK2
SCHEMBL30711353 0.81 CAMKK2 (0.35) P2RY14KMT2ASMN1; SMN2
SCHEMBL30711191 0.81 HCAR2 (0.42) HCAR2P2RY14
SCHEMBL30711374 0.80 SLC6A7 (0.35) P2RY14KMT2AHCAR3SMN1; SMN2
SCHEMBL30711220 0.79 HCAR2 (0.40) HCAR2P2RY14PRKAB2PRKAG1PRKAA2

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-2023246677-A1 INDOLE-PHENYLPIPERIDINE COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 深圳信立泰药业股份有限公司 2023-12-28 — — WO disclosed
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