SCHEMBL9529654

SCHEMBL9529654

Fc1cccc(C2=CCNC(CCC3OCCO3)C2)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.32
ICMT O60725 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
CDK9 P50750 4/20 0.32
CCNT1 O60563 3/20 0.32
DYRK1A Q13627 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ATM Q13315 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL9531972 0.85 HTR2C (0.44) GAATAAR1
SCHEMBL9531304 0.85 NISCH (0.35) ICMTGAAHPGDNISCHNPC1
SCHEMBL9530357 0.84 HTR2C (0.47)
Hydrochloric Acid SCHEMBL11182448 0.81 TAAR1 (0.38) NISCHTAAR1
SCHEMBL4790156 0.74 NISCH (0.37) ESR2NISCHTAAR1
SCHEMBL10848054 0.69 CDK4 (0.38) ICMT
SCHEMBL10850322 0.68 CDK4 (0.39) ICMT
SCHEMBL9875803 0.67 HTR2C (0.41) NPC1RAB9A
SCHEMBL4676585 0.66 CDK9 (0.33) CDK9CCNT1
SCHEMBL2479845 0.65 TAAR1 (0.50) TAAR1ATML3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556342-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYOGYSZERKUTATO INTEZET K.V. (HU) 1993-08-25 EP disclosed
WO-1992007854-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYÓGYSZERKUTATÓ INTÉZET KV. (HU) 1992-05-14 WO disclosed