SCHEMBL9400930

SCHEMBL9400930

CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.71
HPGD P15428 3/20 0.71
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
MAPT P10636 5/20 0.60
ALDH1A1 P00352 4/20 0.60
TIPARP Q7Z3E1 2/20 0.56
NPSR1 Q6W5P4 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
GAA P10253 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP2D6 P10635 1/20 0.50
ALOX15 P16050 1/20 0.50
POLB P06746 1/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50

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
SCHEMBL25310555 0.85 HPGD (0.54) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL9400880 0.85 HTT (0.55) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL9401009 0.84 ALDH1A1 (0.59) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL21521091 0.84 GPR119 (0.60) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL26510124 0.83 TIPARP (0.53) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL9400997 0.82 MAPT (0.55) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL9482270 0.82 MAPT (0.51) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL24962327 0.81 IDO1 (0.52) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL26510283 0.81 TIPARP (0.56) SMN1; SMN2HPGDTIPARPCYP2C9
SCHEMBL11384580 0.81 MAPT (0.63) SMN1; SMN2HPGDMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5314884-A Antidepressants, anxiolytic agents TROPONWERKE GMBH & CO. (DE) 1994-05-24 US disclosed
US-5187276-A Anxiolytics, neuroleptics, antidepressants, and nootropic agents TROPONWERKE GMBH & CO. KG. (DE) 1993-02-16 US disclosed
US-4988809-A CENTRAL NERVOUS SYSTEM TROPONWERKE GMBH & CO., KG (DE) 1991-01-29 US disclosed
EP-0129128-B1 2-PYRIMIDINYL-1-PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Troponwerke GmbH & Co. KG (DE) 1990-11-22 EP disclosed
US-4937343-A NEUROLEPTICS OR ANTIDEPRESSANTS TROPONWERKE GMBH & CO. KG (DE) 1990-06-26 US disclosed
US-4818756-A CENTRAL NERVOUS SYSTEM DISORDERS TROPONWERKE GMBH & CO., KG (DE) 1989-04-04 US disclosed