SCHEMBL29994597

SCHEMBL29994597

Cc1ccc(OC2CCN(c3ccccn3)C2)nc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.50
▸ HCRTR1 O43613 1/20 0.47
▸ HCRTR2 O43614 1/20 0.47
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ PDE10A Q9Y233 1/20 0.46
▸ AVPR1A P37288 4/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.44
▸ PIK3CA P42336 1/20 0.43
▸ OXTR P30559 1/20 0.42
▸ RET P07949 2/20 0.42

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
SCHEMBL28887108 1.00 PIK3CD (0.50) PIK3CDHCRTR1HCRTR2PDE3BPDE3A
SCHEMBL26774278 0.80 HCRTR1 (0.48) PIK3CDHCRTR1HCRTR2PDE3BPDE3A
SCHEMBL26774280 0.80 HCRTR1 (0.46) PIK3CDHCRTR1HCRTR2PDE3BPDE3A
SCHEMBL26774466 0.80 HCRTR1 (0.46) PIK3CDHCRTR1HCRTR2PDE3BPDE3A
SCHEMBL26774465 0.80 HCRTR1 (0.48) PIK3CDHCRTR1HCRTR2PDE3BPDE3A
SCHEMBL26773358 0.79 OXTR (0.48) HCRTR1HCRTR2PDE3BPDE3APDE10A
SCHEMBL10107364 0.78 DRD2 (0.51) PIK3CDAVPR1AHRH3PIK3CAOXTR
SCHEMBL29868881 0.77 HRH3 (0.49) PIK3CDAVPR1AHRH3
SCHEMBL29483156 0.77 HRH3 (0.52) PDE3BPDE3APDE10AHRH3RET
SCHEMBL29373138 0.77 HRH3 (0.49) PIK3CDAVPR1AHRH3

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
CN-115335050-A Compounds and compositions for treating skin conditions 卡玛瑞制药有限公司 2022-11-11 — — CN disclosed
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