SCHEMBL22078016

SCHEMBL22078016

C=C1CCCN1C(CC)C(C)CC

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA13 Q8N1Q1 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ CA5B Q9Y2D0 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
SCHEMBL16252942 0.79 LMNA (0.37) LMNACA12CA1CA2CA3
SCHEMBL10001843 0.79 LMNA (0.37) LMNACA12CA1CA2CA3
SCHEMBL19075243 0.76 LMNA (0.30) LMNACA12CA1CA2CA3
SCHEMBL8261417 0.76 LMNA (0.42) LMNACA12CA1CA2CA3
SCHEMBL101562 0.74 PIK3CD (0.32) —
SCHEMBL6923986 0.73 — —
SCHEMBL10074140 0.72 LMNA (0.32) LMNACA12CA1CA2CA3
SCHEMBL8259691 0.70 LMNA (0.41) LMNACA12CA1CA2CA3
SCHEMBL22078015 0.70 LMNA (0.34) LMNACA12CA1CA2CA3
SCHEMBL27339574 0.69 LMNA (0.36) LMNACA12CA1CA2CA3

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-2020115555-A2 CRF1 RECEPTOR ANTAGONIST, PHARMACEUTICAL FORMULATIONS AND SOLID FORMS THEREOF FOR THE TREATMENT OF CONGENITAL ADRENAL HYPERPLASIA NEUROCRINE BIOSCIENCES, INC. (US) 2020-06-11 — — WO disclosed
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