SCHEMBL3129274

SCHEMBL3129274

O=C(CCCNc1[c]cccc1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
FKBP1A P62942 2/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
USP2 O75604 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.45
GLA P06280 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM1A O60341 1/20 0.41

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
SCHEMBL3122088 0.92 FKBP1A (0.51) LMNAFKBP1AALDH1A1SMN1; SMN2RAB9A
SCHEMBL3129280 0.78 ALDH1A1 (0.48) LMNAFKBP1AALDH1A1SMN1; SMN2RAB9A
SCHEMBL996592 0.78 NPC1 (0.53) LMNAALDH1A1SMN1; SMN2RAB9AUSP2
SCHEMBL3130513 0.76 USP2 (0.56) LMNAFKBP1ASMN1; SMN2RAB9AUSP2
SCHEMBL964201 0.74 CYP2C9 (0.60) LMNAALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL3757565 0.72 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL3119026 0.72 GAA (0.55) LMNAFKBP1AALDH1A1SMN1; SMN2RAB9A
SCHEMBL7427604 0.72 MAPT (0.55) FKBP1AALDH1A1SMN1; SMN2RAB9AUSP2
SCHEMBL3121594 0.70 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL7068444 0.70 FKBP1A (0.82) LMNAFKBP1AALDH1A1SMN1; SMN2RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO disclosed