SCHEMBL23052290

SCHEMBL23052290

CCC(=O)NCC1(C)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MTNR1A P48039 5/20 0.36
MTNR1B P49286 5/20 0.36
FKBP1A P62942 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
THRB P10828 3/20 0.34
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL15869712 0.82 LMNA (0.45) LMNAMEN1KMT2A
SCHEMBL7628433 0.81 OPRM1 (0.49) LMNAMTNR1AMTNR1BFKBP1AOPRM1
SCHEMBL19151155 0.79 LMNA (0.42) LMNAMEN1KMT2AMTNR1AMTNR1B
SCHEMBL20171068 0.78 HSD17B10 (0.46) LMNAMEN1KMT2AFKBP1AOPRM1
SCHEMBL3248152 0.76 TSHR (0.37) LMNAKMT2AFKBP1ACYP2C19
SCHEMBL21766643 0.76 P2RX7 (0.41) LMNAMEN1KMT2AMTNR1AMTNR1B
SCHEMBL18869250 0.76 ALDH1A1 (0.50) LMNAKMT2ACYP2C19
SCHEMBL15427281 0.75 MEN1 (0.41) LMNAMEN1KMT2AMTNR1AMTNR1B
SCHEMBL21234808 0.75 LMNA (0.33) LMNA
SCHEMBL14970350 0.74 OPRM1 (0.50) MTNR1AMTNR1BFKBP1AOPRM1OPRL1

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-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 WO disclosed