SCHEMBL11520175

SCHEMBL11520175

CC(C)C(CCCCC(=O)N1CCOCC1)NCc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.51
FKBP1A P62942 4/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
GLA P06280 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
NAAA Q02083 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL11516874 0.81 CTSS (0.44) FKBP1AALDH1A1KMT2AMEN1CTSS
SCHEMBL11519593 0.79 HTT (0.49) KMT2AMEN1
Zafuleptine SCHEMBL2110004 0.78 HTT (0.48) KMT2AMEN1
SCHEMBL11516163 0.78 HPGD (0.43) KMT2AMEN1
SCHEMBL11516002 0.78 HTT (0.48) KMT2AMEN1
SCHEMBL11519292 0.78 HTT (0.48) KMT2AMEN1
SCHEMBL11515245 0.77 LMNA (0.49) KMT2AMEN1
SCHEMBL9557074 0.76 TAAR1 (0.68) TAAR1FKBP1ANPC1ALDH1A1KMT2A
SCHEMBL11516756 0.76 HPGD (0.42) KMT2ASMN1; SMN2MEN1
SCHEMBL11520085 0.75 MEN1 (0.43) KMT2AMEN1

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
US-4154851-A ANTIDEPRESSANTS, ANTIAGRESSIVE AGENTS SCIENCE UNION ET CIE, SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) 1979-05-15 US disclosed