SCHEMBL6983350

SCHEMBL6983350

O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.55
ADRA1A P35348 3/20 0.52
DRD2 P14416 2/20 0.52
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
PKM P14618 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
SCHEMBL6984019 0.91 HTR1A (0.59) HTR1AADRA1ADRD2
SCHEMBL5654896 0.85 ALDH1A1 (0.57) HTR1APOLBHPGD
SCHEMBL14525211 0.82 PLA2G7 (0.45) HTR1AKMT2A
SCHEMBL6985229 0.81 NPC1 (0.55) POLB
SCHEMBL6981118 0.80 HPGD (0.61) HTR1AADRA1ADRD2KMT2APOLB
SCHEMBL3909631 0.78 HPGD (0.60) HTR1AADRA1ADRD2KMT2APOLB
Methane SCHEMBL7454180 0.74 HPGD (0.65) HTR1AADRA1ADRD2KMT2APOLB
SCHEMBL2109099 0.74 TP53 (0.49) KMT2APOLBHPGD
SCHEMBL27972639 0.73 CA12 (0.43) KMT2AHPGD
SCHEMBL3845345 0.73 AVPR1A (0.57) KMT2APOLBHPGDPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946546-B1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PF MEDICAMENT (FR) 2003-06-25 EP disclosed
US-6020345-A Pyridin-2-yl-methylamine derivatives, method of preparing and application as medicine PIERRE FABRE MEDICAMENT (FR) 2000-02-01 US disclosed
EP-0946546-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1999-10-06 EP disclosed
WO-1998022459-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1998-05-28 WO disclosed