SCHEMBL11638652

SCHEMBL11638652

CC(C)N(CCC(CN)(c1ccccc1)c1ccccc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.47
SLC22A1 O15245 1/20 0.47
PGR P06401 1/20 0.47
THRB P10828 1/20 0.47
ADRB3 P13945 1/20 0.47
OPRK1 P41145 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
KCNH2 Q12809 1/20 0.47
PDE3A Q14432 1/20 0.47
SLC47A1 Q96FL8 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
TAAR1 Q96RJ0 3/20 0.42
LTA4H P09960 1/20 0.37

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
SCHEMBL6575350 0.80 CHRM2 (0.50) SLC22A2SLC22A1PGRTHRBADRB3
SCHEMBL11647454 0.79 SMN1; SMN2 (0.56) OPRK1KCNH2CHRM2CHRM1CHRM3
SCHEMBL11643858 0.76 SIGMAR1 (0.51) BLMPMP22KCNH2CYP3A4TSHR
SCHEMBL6577621 0.76 CHRM2 (0.49) SLC22A2SLC22A1PGRTHRBADRB3
SCHEMBL6576125 0.76 KIF11 (0.41) SLC22A2SLC22A1PGRTHRBADRB3
SCHEMBL6574097 0.75 CHRM2 (0.41) SLC22A2SLC22A1PGRTHRBADRB3
SCHEMBL6575451 0.74 CHRM2 (0.50) SLC22A2SLC22A1PGRTHRBADRB3
SCHEMBL11479945 0.73 KCNH2 (0.59) SLC22A2SLC22A1PGRTHRBADRB3
SCHEMBL13541547 0.73 KCNH2 (0.74) SLC22A2SLC22A1PGRTHRBADRB3
SCHEMBL4937013 0.73 TAAR1 (0.56) TSHRTAAR1KIF11SMN1; SMN2ALDH1A1

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
US-4118494-A ANTIARRHYTHMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4014884-A ANTIARRHYTHMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-29 US disclosed