SCHEMBL22556833

SCHEMBL22556833

Cc1c(C=C2CCN(C(=O)C(C)C)CC2)cc(F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
GPR174 Q9BXC1 2/20 0.43
ALDH1A1 P00352 5/20 0.41
SRD5A2 P31213 4/20 0.40
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.37
CASP3 P42574 1/20 0.36
USP14 P54578 1/20 0.36
UCHL5 Q9Y5K5 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MTNR1B P49286 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL22556898 0.87 MAPT (0.39) MAPTGPR174ALDH1A1SRD5A2LMNA
SCHEMBL22556761 0.82 SRD5A2 (0.42) MAPTSRD5A2MTNR1B
SCHEMBL28465448 0.82 MAPT (0.45) MAPTGPR174ALDH1A1LMNASMN1; SMN2
SCHEMBL22579458 0.81 SRD5A2 (0.42) MAPTALDH1A1SRD5A2LMNAMTNR1B
SCHEMBL22556698 0.80 GPR174 (0.39) MAPTGPR174ALDH1A1SRD5A2LMNA
SCHEMBL22579361 0.76 HTR2C (0.37) MAPTALDH1A1LMNASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL22556822 0.75 HTR2C (0.36) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL1865742 0.72 SRD5A2 (0.41) MAPTGPR174ALDH1A1SRD5A2LMNA
SCHEMBL22579381 0.71 NPC1 (0.38) MAPTALDH1A1SRD5A2LMNAMTNR1B
SCHEMBL22556778 0.70 MAPT (0.43) MAPTGPR174ALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111825654-A Phenylmethylene piperidine derivatives, preparation method, intermediates and uses thereof 北京酷瓴生物技术有限公司 2020-10-27 CN disclosed
WO-2020211836-A1 BENZENE PIPERIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 北京酷瓴生物技术有限公司 2020-10-22 WO disclosed
WO-2020211836-A1 BENZENE PIPERIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 北京酷瓴生物技术有限公司 2020-10-22 WO disclosed