SCHEMBL6973049

SCHEMBL6973049

COC(OC)C(C)(c1ccccn1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AHR P35869 2/20 0.40
CHRM2 P08172 2/20 0.40
CYP1A2 P05177 2/20 0.34
BLM P54132 3/20 0.34
CYP2D6 P10635 1/20 0.34
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
METAP1 P53582 1/20 0.33
HIF1A Q16665 1/20 0.33
DOHH Q9BU89 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
GAA P10253 1/20 0.33
CHRM3 P20309 2/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL27827268 0.81 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1AHRCHRM2CYP1A2
SCHEMBL22863374 0.78 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM2CYP1A2
SCHEMBL4028599 0.77 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1AHRCHRM2CYP1A2
SCHEMBL5148545 0.74 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM2CYP1A2
Ammonia Solution, Strong SCHEMBL27641252 0.74 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM2CYP1A2
SCHEMBL12934595 0.74 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM2CYP1A2
SCHEMBL12229498 0.73 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM2CYP1A2
SCHEMBL31645911 0.72 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1AHRCHRM2CYP1A2
SCHEMBL29349628 0.72 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1AHRCHRM2CYP1A2
SCHEMBL29080 0.72 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1AHRCHRM2CYP1A2

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
EP-1000046-B1 PIPERAZINE DERIVATIVES ACTIVE ON THE LOWER URINARY TRACT RECORDATI CHEM PHARM (CH) 2003-11-26 EP disclosed