SCHEMBL22504244

SCHEMBL22504244

CC(C)C(C)(C(C)C)N1CC2CCC(C1)N2C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD11B1 P28845 1/20 0.34
MAPK1 P28482 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
SCHEMBL17281972 0.78 LMNA (0.39) LMNACYP2C9HSD11B1MAPK1
SCHEMBL12268260 0.78 LMNA (0.39) LMNACYP2C9HSD11B1MAPK1
SCHEMBL18745810 0.71 HSD11B1 (0.33) LMNACYP2C9HSD11B1
SCHEMBL27426225 0.71 HSD11B1 (0.33) LMNACYP2C9HSD11B1
SCHEMBL25507006 0.71 HSD11B1 (0.33) LMNACYP2C9HSD11B1
SCHEMBL24185585 0.71 HSD11B1 (0.33) LMNACYP2C9HSD11B1
SCHEMBL24652052 0.70 MAPK1 (0.41) LMNACYP2C9HSD11B1MAPK1
SCHEMBL278109 0.66 LMNA (0.46) LMNACYP2C9HSD11B1MAPK1
SCHEMBL16603050 0.66 LMNA (0.46) LMNACYP2C9HSD11B1MAPK1
SCHEMBL17057298 0.66 LMNA (0.46) LMNACYP2C9HSD11B1MAPK1

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-3497091-B1 CONDENSED THIOPHENE DERIVATIVES USEFUL AS NAPI-IIB INHIBITORS LILLY CO ELI (US) 2020-10-07 EP disclosed