SCHEMBL6421835

SCHEMBL6421835

NCC1CSc2ccccc2N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 3/20 0.42
IDO1 P14902 2/20 0.39
GAA P10253 2/20 0.38
CREBBP Q92793 2/20 0.33
BRD4 O60885 1/20 0.33
HTR2C P28335 2/20 0.32
CYP1A2 P05177 1/20 0.32
BCHE P06276 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
MAOA P21397 1/20 0.32
CNR1 P21554 1/20 0.32
ACHE P22303 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
SCHEMBL14224846 0.82 MEN1 (0.51) MEN1KMT2ANPC1ALDH1A1IDO1
SCHEMBL14567926 0.76 MEN1 (0.45) MEN1KMT2ANPC1ALDH1A1IDO1
SCHEMBL27583393 0.76 MEN1 (0.56) MEN1KMT2ANPC1ALDH1A1IDO1
SCHEMBL14048753 0.72 MEN1 (0.56) MEN1KMT2ANPC1ALDH1A1IDO1
SCHEMBL21776257 0.72 MEN1 (0.56) MEN1KMT2ANPC1ALDH1A1IDO1
SCHEMBL14198296 0.70 HSD17B10 (0.52) MEN1KMT2ANPC1ALDH1A1GAA
SCHEMBL27466534 0.70 MEN1 (0.40) MEN1KMT2ANPC1ALDH1A1GAA
SCHEMBL7685391 0.70 ALDH1A1 (0.45) MEN1KMT2ANPC1ALDH1A1IDO1
SCHEMBL3624232 0.69 MEN1 (0.96) MEN1KMT2ANPC1ALDH1A1IDO1
SCHEMBL4371802 0.68 GAA (0.46) GAACREBBPBRD4HTR2CMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
CN-1168716-C Optically active tetrahydrobenzindole derivative 明治制果株式会社 2004-09-29 CN disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
US-6407112-B1 2A,3,4,5-TETRAHYDRO-1H-BENZ(CD)INDOL-2-ONE DERIVATIVES; 5-HYDROXYTRYPTAMINE AGONISTS; SLEEP, CIRCADIAN RHYTHYM, BIPOLAR, AND PSYCHOLOGICAL DISORDER TREATMENT MEIJI SEIKA KAISHA, LTD. (JP) 2002-06-18 US disclosed
CN-1306510-A Optical active tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA (JP) 2001-08-01 CN disclosed
EP-1081136-A1 OPTICALLY ACTIVE TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2001-03-07 EP disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed