SCHEMBL11620181

SCHEMBL11620181

CCOC(=O)c1cc(Br)c(N)c(CN[C@@H]2CCC[C@H](O)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ GBA1 P04062 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ TBXA2R P21731 1/20 0.46
▸ HRH2 P25021 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ ALOX15 P16050 3/20 0.45
▸ TSHR P16473 3/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ JAK1 P23458 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ POLB P06746 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
SCHEMBL11622438 0.87 LMNA (0.61) LMNAGBA1CYP1A2CYP2D6CNR1
Hydrochloric Acid SCHEMBL11623135 0.84 CYP3A4 (0.52) LMNAGBA1CYP1A2CYP2D6CNR1
SCHEMBL11620634 0.83 ALOX15 (0.53) LMNACYP1A2ALOX15CYP3A4TDP1
SCHEMBL11620639 0.83 ALOX15 (0.53) LMNACYP1A2ALOX15CYP3A4TDP1
SCHEMBL11617446 0.83 ALOX15 (0.53) LMNACYP1A2ALOX15CYP3A4TDP1
SCHEMBL11706218 0.77 ALOX15 (0.47) ALOX15TDP1JAK1JAK3MEN1
SCHEMBL11622267 0.77 ALOX15 (0.47) ALOX15TDP1JAK1JAK3MEN1
SCHEMBL11622270 0.77 ALOX15 (0.47) ALOX15TDP1JAK1JAK3MEN1
SCHEMBL11169948 0.77 LMNA (0.46) LMNAGBA1CYP1A2CYP2D6CNR1
SCHEMBL11621712 0.75 CA1 (0.43) LMNACYP1A2ALOX15CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29628-E ANTIULCER, SECRETOLYTICS, ANTITUSSIVE BOEHRINGER INGELHEIM GMBH (DT) 1978-05-09 — — US disclosed
US-4006246-A ANTIULCER, SECRETOLYTIC, ANTITUSSIVE, STIMULANT BOEHRINGER INGELHEIM GMBH (DT) 1977-02-01 — — US disclosed
US-3950393-A ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 — — US disclosed
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