SCHEMBL11337359

SCHEMBL11337359

O=C(NC(=O)C1CCCCN1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.55
HTR2B P41595 2/20 0.55
CTSC P53634 2/20 0.48
ALDH1A1 P00352 2/20 0.48
EPHX1 P07099 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 3/20 0.46
GAA P10253 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CPB1 P15086 1/20 0.43
PREP P48147 1/20 0.42

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
SCHEMBL941594 0.96 HTR2C (0.59) HTR2CHTR2BCTSCALDH1A1EPHX1
SCHEMBL9464997 0.84 ALDH1A1 (0.58) HTR2CHTR2BCTSCALDH1A1MEN1
SCHEMBL9464553 0.84 ALDH1A1 (0.58) HTR2CHTR2BCTSCALDH1A1MEN1
SCHEMBL8699715 0.84 HTR2C (0.55) HTR2CHTR2BALDH1A1MEN1KMT2A
SCHEMBL630942 0.82 TSHR (0.61) HTR2CHTR2BALDH1A1TSHR
SCHEMBL6727374 0.82 TSHR (0.61) HTR2CHTR2BALDH1A1TSHR
SCHEMBL12479526 0.82 GLA (0.43) HTR2CHTR2BALDH1A1TSHRGAA
Hydrochloric Acid SCHEMBL630941 0.81 TSHR (0.64) HTR2CHTR2BALDH1A1TSHR
Hydrochloric Acid SCHEMBL630943 0.81 TSHR (0.64) HTR2CHTR2BALDH1A1TSHR
SCHEMBL28676037 0.81 TSHR (0.60) HTR2CHTR2BALDH1A1EPHX1MEN1

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-4299821-A HYPOTHERMIC AGENTS, TREATMENT OF NARCOLEPSY RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1981-11-10 US disclosed