SCHEMBL9837948

SCHEMBL9837948

Sc1nccn1Cc1cccc(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DBH P09172 1/20 0.50
P2RX7 Q99572 2/20 0.48
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
CYP2A13 Q16696 2/20 0.43
PNMT P11086 1/20 0.43
KCNH2 Q12809 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
QPCTL Q9NXS2 1/20 0.39
BRD4 O60885 1/20 0.39
PIK3CD O00329 3/20 0.39
PIK3CB P42338 3/20 0.39
PIK3CG P48736 2/20 0.39
PIK3CA P42336 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL9838394 0.89 BRD4 (0.48) ALDH1A1POLBBRD4IDO1
SCHEMBL9836934 0.83 POLB (0.47) P2RX7KDM4EALDH1A1POLBCYP2A13
SCHEMBL27571292 0.81 P2RX7 (0.51) DBHP2RX7KDM4EALDH1A1POLB
SCHEMBL10337098 0.76 TSHR (0.53) DBHP2RX7ALDH1A1CYP2A13IDO1
SCHEMBL9836387 0.76 DBH (0.49) DBHP2RX7ALDH1A1KCNH2BRD4
SCHEMBL10594477 0.75 MPO (0.44) KDM4EALDH1A1
SCHEMBL6348986 0.74 HSD17B10 (0.51) KDM4EALDH1A1POLBQPCTLBRD4
SCHEMBL9837718 0.73 CYP11B1 (0.51) DBHKDM4EALDH1A1BRD4
SCHEMBL9838297 0.73 MEN1 (0.51) DBHALDH1A1KCNH2BRD4
SCHEMBL10593660 0.72 ALDH1A1 (0.50) DBHP2RX7KDM4EALDH1A1

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 10 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-0125033-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1989-04-26 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
EP-0125033-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1984-11-14 EP disclosed