SCHEMBL11568322

SCHEMBL11568322

O=C1CCC(c2ccccn2)=NN1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
PDE3B Q13370 10/20 0.49
PDE3A Q14432 10/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PDE2A O00408 1/20 0.47
KCNH2 Q12809 1/20 0.44
LMNA P02545 3/20 0.43
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
METAP1 P53582 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
DOHH Q9BU89 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
AXL P30530 1/20 0.43

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
SCHEMBL10911962 0.87 SMN1; SMN2 (0.53) SMN1; SMN2PDE3BPDE3ANPC1RAB9A
SCHEMBL7273949 0.87 SMN1; SMN2 (0.66) SMN1; SMN2PDE3BPDE3APDE2AKCNH2
SCHEMBL8791532 0.84 AXL (0.58) SMN1; SMN2NPC1RAB9ALMNACYP1A2
SCHEMBL2986346 0.78 SMN1; SMN2 (0.47) SMN1; SMN2PDE3BPDE3APDE2AKCNH2
SCHEMBL17103799 0.78 SMN1; SMN2 (0.56) SMN1; SMN2PDE3BPDE3APDE2AKCNH2
SCHEMBL2798028 0.74 SMN1; SMN2 (1.00) SMN1; SMN2PDE3BPDE3APDE2AKCNH2
SCHEMBL3412583 0.73 SMN1; SMN2 (0.47) SMN1; SMN2PDE3BPDE3APDE2AKCNH2
SCHEMBL17832848 0.73 KDM4E (0.59) SMN1; SMN2NPC1RAB9ALMNACYP1A2
SCHEMBL11254453 0.72 SMN1; SMN2 (0.50) SMN1; SMN2PDE3BPDE3APDE2AKCNH2
SCHEMBL10353452 0.71 SMN1; SMN2 (0.81) SMN1; SMN2PDE3BPDE3APDE2AKCNH2

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
US-4136184-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS SANDOZ, INC. (US) 1979-01-23 US disclosed
US-4055644-A CNS DEPRESSANTS SANDOZ, INC. (US) 1977-10-25 US disclosed
US-3931176-A CNS DEPRESSANT SANDOZ INC. (US) 1976-01-06 US disclosed