Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL28510213

CC1(C)CC(n2ccc3ccc(N4CCN(c5ccc(S(C)(=O)=O)cc5)CC4)nc32)C1.N

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 10/20 0.42
▸ HSD11B1 P28845 1/20 0.40
▸ AKR1C3 P42330 1/20 0.37
▸ RXFP1 Q9HBX9 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ PARP1 P09874 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ PTK2 Q05397 1/20 0.35

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
SCHEMBL21274084 0.87 HSD11B1 (0.40) GPR119HSD11B1AKR1C3RXFP1TP53
SCHEMBL21274289 0.84 GPR119 (0.45) GPR119RXFP1TP53PARP1JAK2
SCHEMBL21274501 0.83 GPR119 (0.42) GPR119HSD11B1AKR1C3RXFP1TP53
SCHEMBL22801948 0.83 GPR119 (0.42) GPR119HSD11B1AKR1C3RXFP1TP53
SCHEMBL21274032 0.83 GPR119 (0.44) GPR119HSD11B1AKR1C3RXFP1TP53
SCHEMBL21274200 0.83 GPR119 (0.42) GPR119HSD11B1AKR1C3RXFP1TP53
SCHEMBL21274366 0.82 GPR119 (0.43) GPR119RXFP1TP53PARP1MEN1
SCHEMBL21274013 0.82 GPR119 (0.41) GPR119HSD11B1AKR1C3RXFP1TP53
SCHEMBL21273934 0.82 GPR119 (0.43) GPR119RXFP1TP53PARP1MEN1
SCHEMBL21274376 0.82 GPR119 (0.43) GPR119HSD11B1AKR1C3RXFP1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112105357-A Pharmaceutically acceptable 6,5 heterobicyclic derivatives UCB生物制药有限责任公司 2020-12-18 — — CN claimed
CN-112105357-A Pharmaceutically acceptable 6,5 heterobicyclic derivatives UCB生物制药有限责任公司 2020-12-18 — — CN disclosed
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