SCHEMBL8989702

SCHEMBL8989702

O=C(NCCCCl)c1ccc(F)cc1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
POLB P06746 2/20 0.56
HDAC6 Q9UBN7 3/20 0.52
ACKR3 P25106 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
NAMPT P43490 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.50
FOLH1 Q04609 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
SCHEMBL10911056 0.93 NPC1 (0.59) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL3822090 0.89 NPC1 (0.60) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL2302774 0.84 NPC1 (0.64) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL27563323 0.83 NPC1 (0.59) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL6378992 0.82 NPC1 (0.62) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL19133492 0.82 NPC1 (0.67) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL7393206 0.82 POLB (0.66) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL4768363 0.81 NPC1 (0.66) NPC1RAB9AKMT2APOLBHDAC6
SCHEMBL24386079 0.81 L3MBTL1 (0.71) NPC1RAB9AKMT2AMEN1HDAC6
SCHEMBL7214981 0.81 NPC1 (0.60) NPC1RAB9AKMT2APOLBHDAC6

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-0646110-B1 N-SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS BASF AG (DE) 1996-10-23 EP disclosed
US-5521209-A N-substituted azabicyclo[3.2.0]heptane derivatives as neuroleptics, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1996-05-28 US disclosed
EP-0646110-A1 N-SUBSTITUED 3-AZABICYCLO 3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS ETC. BASF AG (DE) 1995-04-05 EP disclosed
WO-1994000431-A1 N-SUBSTITUED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS ETC. BASF AKTIENGESELLSCHAFT (DE) 1994-01-06 WO disclosed
EP-0104614-B1 PHENYLPIPERAZINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Chugai Seiyaku Kabushiki Kaisha (JP) 1986-12-30 EP disclosed
US-4560686-A Method for treating circulatory diseases by using (2-lower alkoxyphenyl)piperazine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1985-12-24 US disclosed
EP-0104614-A1 Phenylpiperazine derivatives and process for producing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1984-04-04 EP disclosed