SCHEMBL11436717

SCHEMBL11436717

CCC(=O)N(c1ccc(Br)cc1)C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ MITF O75030 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ PAX8 Q06710 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ OPRM1 P35372 6/20 0.49
▸ SIGMAR1 Q99720 2/20 0.49
▸ OPRL1 P41146 1/20 0.48
▸ CHRM3 P20309 3/20 0.47
▸ KCNH2 Q12809 3/20 0.47
▸ OPRD1 P41143 2/20 0.47
▸ SLC22A1 O15245 1/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ ABCB1 P08183 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ DRD2 P14416 1/20 0.47

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
SCHEMBL9260624 0.90 KDM4E (0.59) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL9845445 0.86 MEN1 (0.51) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL18569422 0.83 KDM4E (0.72) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL11456891 0.82 MEN1 (0.42) MEN1KMT2AOPRM1SIGMAR1CHRM3
SCHEMBL11437822 0.82 MEN1 (0.42) MEN1KMT2AOPRM1SIGMAR1CHRM3
SCHEMBL11334220 0.81 MEN1 (0.44) MEN1KMT2AOPRM1SIGMAR1CHRM3
SCHEMBL11434689 0.79 MEN1 (0.40) MEN1KMT2AOPRM1SIGMAR1CHRM3
SCHEMBL9346956 0.78 ALDH1A1 (0.47) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL12952656 0.75 HRH3 (0.45) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL18609525 0.74 OPRM1 (0.85) OPRM1SIGMAR1CHRM3KCNH2OPRD1

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-4217362-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-08-12 — — US disclosed
US-4212888-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-07-15 — — US disclosed
US-4128663-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1978-12-05 — — US disclosed
Send feedback