SCHEMBL29458175

SCHEMBL29458175

CN(C)CCOc1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.58
CHRNA4 P43681 1/20 0.58
HTR7 P34969 1/20 0.53
CYP19A1 P11511 9/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
KCNH2 Q12809 1/20 0.43
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7399032 1.00 CHRNB2 (0.58) CHRNB2CHRNA4HTR7CYP19A1GAA
SCHEMBL21852317 0.86 KCNH2 (0.51) CHRNB2CHRNA4CYP19A1KDM4EKCNH2
SCHEMBL5509909 0.84 CHRNB2 (0.59) CHRNB2CHRNA4CYP19A1GAAKDM4E
SCHEMBL4548252 0.84 CHRNB2 (0.59) CHRNB2CHRNA4CYP19A1GAAKDM4E
SCHEMBL6750055 0.84 CYP19A1 (0.59) CYP19A1GAATSHRTDP1HTT
SCHEMBL1219905 0.83 CHRNB2 (0.58) CHRNB2CHRNA4HTR7CYP19A1GAA
SCHEMBL5275797 0.83 CHRNB2 (0.58) CHRNB2CHRNA4HTR7CYP19A1GAA
SCHEMBL29458124 0.83 CHRNB2 (0.58) CHRNB2CHRNA4CYP19A1GAAKDM4E
SCHEMBL7396303 0.83 CHRNB2 (0.58) CHRNB2CHRNA4CYP19A1GAAKDM4E
SCHEMBL7445037 0.83 CHRNB2 (0.58) CHRNB2CHRNA4CYP19A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466897-A Highly selective FGFR2 inhibitors 深圳福沃药业有限公司 2024-01-30 CN disclosed
CN-116635390-A Potent and selective compounds as serotonin 1B receptor modulators 莱科斯生物技术公司 2023-08-22 CN disclosed
EP-4225753-A1 POTENT AND SELCTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS Leukos Biotech, S.L. (ES) 2023-08-16 EP disclosed
WO-2022074103-A1 POTENT AND SELCTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS LEUKOS BIOTECH, S.L. (ES) 2022-04-14 WO disclosed