SCHEMBL2029199

SCHEMBL2029199

O=C(CC1CCCCN1)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.61
KHK P50053 1/20 0.55
ADORA2A P29274 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 2/20 0.50
MAP2K1 Q02750 1/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 2/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7259516 1.00 EPHX2 (0.61) EPHX2KHKADORA2ASMN1; SMN2POLB
SCHEMBL7738145 0.83 MITF (0.54) EPHX2KHKADORA2ASMN1; SMN2HPGD
SCHEMBL13766425 0.83 SMN1; SMN2 (0.57) KHKADORA2ASMN1; SMN2LMNANPC1
SCHEMBL13762191 0.82 ADORA2A (0.53) EPHX2KHKADORA2ASMN1; SMN2GAA
SCHEMBL13766292 0.82 SMN1; SMN2 (0.58) EPHX2KHKSMN1; SMN2HPGDLMNA
SCHEMBL3640239 0.81 ADORA2A (0.49) EPHX2KHKADORA2ANPC1RAB9A
SCHEMBL13762201 0.81 KCNJ6 (0.50) EPHX2KHKADORA2ASMN1; SMN2POLB
SCHEMBL6222283 0.80 EPHX1 (0.63) EPHX2SMN1; SMN2POLBRAB9A
SCHEMBL6222279 0.80 EPHX1 (0.63) EPHX2SMN1; SMN2POLBRAB9A
SCHEMBL2096759 0.79 EPHX1 (0.48) KHKADORA2ASMN1; SMN2POLBLMNA

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-2507212-B1 PROCESS FOR PREPARING METHYL PHENIDATE HYDROCHLORIDE HARMAN FINOCHEM LTD (IN) 2014-04-16 EP disclosed
EP-2651892-A1 LOW-TEMPERATURE SYNTHESIS OF METHYLPHENIDATE HYDROCHLORIDE Rhodes Technologies (US) 2013-10-23 EP disclosed
EP-2507212-A1 PROCESS FOR PREPARING METHYL PHENIDATE HYDROCHLORIDE Harman Finochem Limited (IN) 2012-10-10 EP disclosed
WO-2012080834-A1 LOW-TEMPERATURE SYNTHESIS OF METHYLPHENIDATE HYDROCHLORIDE RHODES TECHNOLOGIES (US) 2012-06-21 WO disclosed
WO-2011067783-A1 PROCESS FOR PREPARING METHYL PHENIDATE HYDROCHLORIDE HARMAN FINOCHEM LIMITED (IN) 2011-06-09 WO disclosed
WO-2004080959-A2 PROCESS FOR THE PREPARATION OF DEXMETHYLPHENIDATE HYDROCHLORIDE ISP INVESTMENTS INC. (US) 2004-09-23 WO disclosed
WO-2003051871-A1 N-AROYL CYCLIC AMINE DERIVATIVES AND THEIR USE AS ORXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 2003-06-26 WO disclosed