SCHEMBL24405702

SCHEMBL24405702

Cc1cnc(CF)c(C(=O)NC2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.50
▸ NPC1 O15118 7/20 0.49
▸ RAB9A P51151 7/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ HPGD P15428 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ TAS1R3 Q7RTX0 2/20 0.48
▸ TAS1R1 Q7RTX1 2/20 0.48
▸ TAS1R2 Q8TE23 2/20 0.48
▸ TP53 P04637 1/20 0.47
▸ CNR2 P34972 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GLA P06280 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ATM Q13315 1/20 0.45

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
SCHEMBL24405601 0.82 LMNA (0.56) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL24405365 0.82 LMNA (0.56) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL24405968 0.80 LMNA (0.50) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL24405622 0.80 ALDH1A1 (0.53) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL24405466 0.80 ALDH1A1 (0.53) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL24405728 0.80 ALDH1A1 (0.50) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL24405683 0.79 LMNA (0.49) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL24405500 0.79 ALDH1A1 (0.49) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL24405673 0.78 LMNA (0.48) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL12121057 0.71 NPC1 (0.70) LMNANPC1RAB9ASMN1; SMN2HPGD

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-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 — — EP disclosed
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