Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL29200050

N.Nc1ccc(N2CC(c3ccc(C(F)(F)F)cc3)C[C@H]2CO)cc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.38
KIF11 P52732 1/20 0.36
NOTUM Q6P988 2/20 0.33
KDM1A O60341 2/20 0.33
RCOR1 Q9UKL0 1/20 0.33
MAOB P27338 3/20 0.33
PTGS1 P23219 2/20 0.32
F2R P25116 5/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PRKCZ Q05513 1/20 0.31

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
SCHEMBL21616638 0.99 HTR2C (0.38) HTR2CKIF11NOTUMKDM1ARCOR1
SCHEMBL21616589 0.99 HTR2C (0.38) HTR2CKIF11NOTUMKDM1ARCOR1
SCHEMBL30474495 0.98 HTR2C (0.38) HTR2CKIF11NOTUMKDM1ARCOR1
SCHEMBL21616599 0.83 KIF11 (0.41) HTR2CKIF11KDM1AMAOBF2R
SCHEMBL30474483 0.83 FPR1 (0.39) HTR2CKIF11KDM1ARCOR1MAOB
SCHEMBL30474420 0.83 FPR1 (0.39) HTR2CKIF11KDM1ARCOR1MAOB
SCHEMBL28525708 0.81 ENPP2 (0.44) HTR2C
SCHEMBL28531773 0.81 ENPP2 (0.44) HTR2C
SCHEMBL23631897 0.80 KDM4E (0.46) F2RKDM4EALDH1A1POLBGAA
SCHEMBL28537466 0.80 KDM4E (0.46) F2RKDM4EALDH1A1POLBGAA

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-112513021-B ROR gamma antagonist and application thereof in medicines 广东东阳光药业有限公司 2023-06-27 CN disclosed