SCHEMBL7935297

SCHEMBL7935297

COC(CNCc1ccccc1)(c1ccccc1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ CCR3 P51677 4/20 0.42
▸ ACHE P22303 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ TACR1 P25103 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ OGFRL1 Q5TC84 1/20 0.37
▸ SLC18A3 Q16572 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL7936471 0.81 HRH3 (0.47) HRH3ALDH1A1KDM4ECCR3ACHE
SCHEMBL5024049 0.66 ALDH1A1 (0.45) HRH3ALDH1A1KDM4EACHEKMT2A
SCHEMBL15858942 0.66 ACHE (0.60) HRH3ALDH1A1KDM4EACHEKMT2A
SCHEMBL8672865 0.64 ABCB1 (0.47) ALDH1A1CCR3TACR1SIGMAR1ABCB1
SCHEMBL2336883 0.64 KDM4E (0.65) HRH3ALDH1A1KDM4EACHEKMT2A
SCHEMBL8672692 0.63 SLC18A3 (0.43) ALDH1A1KDM4EKMT2ASIGMAR1ABCB1
SCHEMBL24163317 0.63 RECQL (0.69) HRH3ALDH1A1KDM4ECCR3ACHE
Hydrochloric Acid SCHEMBL2331568 0.63 KDM4E (0.63) HRH3ALDH1A1KDM4EKMT2ASIGMAR1
SCHEMBL12230208 0.62 MAPK1 (0.52) HRH3ALDH1A1KDM4EACHEKMT2A
SCHEMBL13943667 0.62 SIGMAR1 (0.64) HRH3ALDH1A1KDM4EACHEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191135-B1 Neurokinin antagonists BOEHRINGER INGELHEIM KG (DE) 2001-02-20 — — US claimed
US-6235732-B1 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; SKIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-05-22 — — US disclosed
US-6191135-B1 Neurokinin antagonists BOEHRINGER INGELHEIM KG (DE) 2001-02-20 — — US disclosed
US-5985881-A TREATMENT AND PREVENTION OF RESPIRATORY DISORDERS, INFLAMMATORY EYE DISEASES, INFLAMMATORY SKIN DISEASES, INTESTINAL DISORDERS, OTHER INFLAMMATORY DISEASES BOEHRINGER INGELHEIM KG (DE) 1999-11-16 — — US disclosed
WO-1996008480-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1996-03-21 — — WO disclosed
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