SCHEMBL27894710

SCHEMBL27894710

Cc1cc2c(cn1)C(N)CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.55
▸ UHRF1 Q96T88 1/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ CHRNA2 Q15822 1/20 0.34
▸ ACHE P22303 4/20 0.33
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ CYP11B1 P15538 2/20 0.32
▸ CYP11B2 P19099 2/20 0.32
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 1/20 0.31
▸ TUBB4B P68371 1/20 0.31
▸ TUBB3 Q13509 1/20 0.31
▸ TUBB2A Q13885 1/20 0.31
▸ TUBB8 Q3ZCM7 1/20 0.31

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
SCHEMBL6845118 1.00 CHRNA7 (0.55) CHRNA7UHRF1CHRNB2CHRNB4CHRNA4
Hydrochloric Acid SCHEMBL12983296 0.98 CHRNA7 (0.54) CHRNA7UHRF1CHRNB2CHRNB4CHRNA4
Hydrochloric Acid SCHEMBL12983298 0.98 CHRNA7 (0.54) CHRNA7UHRF1CHRNB2CHRNB4CHRNA4
SCHEMBL10238795 0.79 CHRNA7 (0.57) CHRNA7UHRF1CHRNB2CHRNB4CHRNA4
SCHEMBL6845140 0.79 CHRNA7 (0.57) CHRNA7UHRF1CHRNB2CHRNB4CHRNA4
SCHEMBL18818329 0.79 NOS3 (0.47) CHRNA7CHRNB2CHRNB4CHRNA4CHRNA2
SCHEMBL29649333 0.78 CHRNA7 (0.55) CHRNA7UHRF1CHRNB2CHRNB4CHRNA4
Hydrochloric Acid SCHEMBL18794989 0.78 NOS3 (0.46) CHRNA7CHRNB2CHRNB4CHRNA4CHRNA2
SCHEMBL23977210 0.74 CYP11B1 (0.38) CHRNA7CYP11B1CYP11B2
SCHEMBL31040816 0.74 CYP11B1 (0.38) CHRNA7CYP11B1CYP11B2

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
CN-102762560-A Disubstituted heteroaryl-fused pyridines NOVARTIS AG 2012-10-31 — — CN disclosed
Send feedback