SCHEMBL3841290

SCHEMBL3841290

O=C(c1ccc(Oc2ccccc2)cc1)C1CCCN1C1CCNC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ KDM2B Q8NHM5 3/20 0.46
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ PLA2G1B P04054 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ TPSAB1 Q15661 1/20 0.40
▸ TPSD1 Q9BZJ3 1/20 0.40

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
Hydrochloric Acid SCHEMBL3860311 0.99 ALDH1A1 (0.47) ALDH1A1MAPK1KDM2BCHRNB2CHRNB4
SCHEMBL3846301 0.90 SCN9A (0.41) ALDH1A1MAPK1KDM2BLMNASMN1; SMN2
SCHEMBL3862104 0.90 SCN9A (0.41) ALDH1A1MAPK1KDM2BLMNASMN1; SMN2
SCHEMBL3881602 0.90 MEN1 (0.43) ALDH1A1MAPK1KDM2BPLA2G1BATG4B
SCHEMBL3839546 0.90 KDM4E (0.41) ALDH1A1MAPK1HTTMGLLFFAR1
SCHEMBL3844268 0.90 POLB (0.42) ALDH1A1MAPK1KDM2BLMNANPC1
SCHEMBL5128971 0.89 MTNR1A (0.42) ALDH1A1MAPK1KDM2BMGLL
SCHEMBL3846304 0.89 HTR2C (0.42) ALDH1A1MAPK1KDM2BSLC6A2SLC6A4
SCHEMBL3843530 0.89 FFAR1 (0.46) ALDH1A1MAPK1KDM2BPLA2G1BATG4B
SCHEMBL3843546 0.88 HTR2C (0.41) ALDH1A1MAPK1KDM2BSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027086-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth (US) 2009-02-25 — — EP claimed
WO-2007136668-A9 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH CORP (US) 2008-03-27 — — WO claimed
WO-2007136668-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-11-29 — — WO claimed
EP-2027086-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth (US) 2009-02-25 — — EP disclosed
WO-2007136668-A9 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH CORP (US) 2008-03-27 — — WO disclosed
WO-2007136668-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-11-29 — — WO disclosed
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