SCHEMBL22901480

SCHEMBL22901480

CC1N(C)[C@H](c2ccccc2)[C@@H](c2ccccc2)N1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 4/20 0.47
ALDH1A1 P00352 1/20 0.47
CHRNA7 P36544 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
HTR1A P08908 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
MAPT P10636 1/20 0.37
ABCB1 P08183 1/20 0.36
RIPK1 Q13546 1/20 0.36
BRD4 O60885 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
SCHEMBL16001322 1.00 ATM (0.47) ATMALDH1A1CHRNA7MEN1KMT2A
SCHEMBL8660338 0.82 ATM (0.48) ATMALDH1A1CHRNA7MEN1KMT2A
SCHEMBL30561555 0.82 ATM (0.48) ATMALDH1A1CHRNA7MEN1KMT2A
SCHEMBL27979491 0.82 ATM (0.48) ATMALDH1A1CHRNA7MEN1KMT2A
SCHEMBL8517882 0.82 ATM (0.48) ATMALDH1A1CHRNA7MEN1KMT2A
SCHEMBL17448358 0.82 ATM (0.39) ATMALDH1A1CHRNA7MEN1KMT2A
Hydrochloric Acid SCHEMBL2297039 0.76 ATM (0.41) ATMALDH1A1CHRNA7MEN1KMT2A
Hydrochloric Acid SCHEMBL2294497 0.76 ATM (0.41) ATMALDH1A1CHRNA7MEN1KMT2A
SCHEMBL15255363 0.75 ATM (0.35) ATMALDH1A1CHRNA7MEN1KMT2A
SCHEMBL11628193 0.75 ATM (0.43) ATMALDH1A1CHRNA7MEN1KMT2A

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
WO-2021011221-A1 NEW SYNTHESES OF Z-SELECTIVE OLEFIN METATHESIS CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-01-21 WO disclosed