SCHEMBL30711334

SCHEMBL30711334

O=C(O)c1ccc([C@@H]2CC(c3cnn(C4CC4)c3)CCN2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 3/20 0.36
▸ HCRTR2 O43614 3/20 0.36
▸ JAK2 O60674 2/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ ACHE P22303 3/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ P2RY14 Q15391 1/20 0.31
▸ PAK1 Q13153 1/20 0.31
▸ HSD11B1 P28845 2/20 0.31
▸ S1PR4 O95977 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ S1PR5 Q9H228 1/20 0.31
▸ HCAR3 P49019 1/20 0.30
▸ MLYCD O95822 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
SCHEMBL30711191 0.86 HCAR2 (0.42) HSD17B10P2RY14HSD11B1
SCHEMBL30711351 0.83 PROKR1 (0.40) HCRTR1HCRTR2JAK2ACHEP2RY14
SCHEMBL30711182 0.83 TSHR (0.42) HCRTR1HCRTR2HSD17B10P2RY14
SCHEMBL30711318 0.81 L3MBTL1 (0.34) HSD17B10P2RY14MLYCD
SCHEMBL30711285 0.79 HCAR2 (0.39) CCNA2CDK2CCNA1P2RY14HCAR3
SCHEMBL30711259 0.78 AKR1C3 (0.44) P2RY14
SCHEMBL30711292 0.77 P2RY14 (0.42) HSD17B10P2RY14S1PR4S1PR1S1PR5
SCHEMBL30711375 0.76 HCAR2 (0.40) CCNA2CDK2CCNA1P2RY14HSD11B1
SCHEMBL30711363 0.76 HSD11B1 (0.38) P2RY14HSD11B1HCAR3
SCHEMBL30711384 0.75 HCAR2 (0.39) CCNA2CDK2CCNA1P2RY14S1PR4

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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