SCHEMBL9836934

SCHEMBL9836934

Sc1nccn1Cc1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2A13 Q16696 1/20 0.41
ACP1 P24666 4/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL9837948 0.83 DBH (0.50) POLBCYP2A13ALDH1A1KCNH2KDM4E
SCHEMBL10337133 0.83 NOTUM (0.37) ALDH1A1KCNH2TSHR
SCHEMBL9838394 0.81 BRD4 (0.48) POLBNPSR1RAB9AACP1ALDH1A1
SCHEMBL9836922 0.80 DBH (0.48) HPGD
SCHEMBL29941447 0.79 LMNA (0.54) POLBNPSR1ACP1ALDH1A1SMN1; SMN2
SCHEMBL6348986 0.77 HSD17B10 (0.51) POLBALDH1A1L3MBTL1KDM4E
SCHEMBL9838171 0.76 HPGD (0.37) POLBLMNAHPGDP2RX7
SCHEMBL9837718 0.76 CYP11B1 (0.51) NPC1ACP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL9838297 0.75 MEN1 (0.51) ALDH1A1SMN1; SMN2LMNAL3MBTL1KCNH2
SCHEMBL9838167 0.73 DBH (0.48) POLBNPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0125033-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1989-04-26 EP claimed
US-4992459-A Hypotensive agents, antiulcer agents SMITHKLINE BEECHAM CORPORATION (US) 1991-02-12 US disclosed
EP-0212066-B1 INTERMEDIATES USEFUL IN THE PREPARATION OF DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-11-22 EP disclosed
EP-0288488-A4 DOPAMINE- -HYDROXYLASE INHIBITORS 1990-09-12 EP disclosed
EP-0308573-A2 Intermediates useful in the preparation of dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1989-03-29 EP disclosed
EP-0288488-A1 DOPAMINE- -HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1988-11-02 EP disclosed
WO-1988001267-A1 DOPAMINE-ss-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1988-02-25 WO disclosed
EP-0212066-A1 Intermediates useful in the preparation of dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1987-03-04 EP disclosed