SCHEMBL7328758

SCHEMBL7328758

OC1CCCCN1c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.48
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRB2 P07550 1/20 0.36
NCF1 P14598 1/20 0.36
PLD1 Q13393 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL10606613 0.81 MBTD1 (0.47) MAPTNPSR1L3MBTL1KMT2ACYP1A2
SCHEMBL5660735 0.78 HRH3 (0.45) L3MBTL1ALDH1A1MEN1KMT2AHRH3
SCHEMBL21262607 0.78 FFAR1 (0.43) MAPTNPSR1KDM4ELMNATDP1
SCHEMBL5434382 0.78 MAPT (0.50) CHKAMAPTNPSR1KDM4ELMNA
Hydrochloric Acid SCHEMBL11096322 0.76 MAPT (0.49) CHKAMAPTNPSR1KDM4ELMNA
SCHEMBL6173007 0.76 SMN1; SMN2 (0.46) CHKAMAPTNPSR1KDM4ETDP1
SCHEMBL3166116 0.75 CHKA (0.42) CHKAMAPTNPSR1KDM4EALDH1A1
SCHEMBL27504809 0.75 MEN1 (0.48) CHKAMAPTNPSR1KDM4EALDH1A1
SCHEMBL27504810 0.75 CHKA (0.46) CHKAMAPTNPSR1LMNATDP1
SCHEMBL6513376 0.75 PIM1 (0.43) CHKAHRH3

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-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP disclosed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed