SCHEMBL3741830

SCHEMBL3741830

O=C1C=CC=C2NC3C=CC=CC3C12

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL22809949 0.62
SCHEMBL232624 0.61
SCHEMBL3603020 0.59
SCHEMBL30995351 0.58 TDP1 (0.32)
SCHEMBL9536676 0.57
SCHEMBL7377589 0.57
SCHEMBL7339315 0.57
SCHEMBL15040881 0.56
SCHEMBL15040682 0.56
SCHEMBL7248302 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246888-A1 ENOYL REDUCTASE INHIBITORS WITH ANTIBACTERIAL ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-03 US disclosed
EP-1491212-B1 REMEDY FOR SLEEP DISTURBANCE MITSUBISHI TANABE PHARMA CORP (JP) 2012-08-08 EP disclosed
US-20100143346-A1 Treatment of Macular Degeneration SUMMIT CORPORATION PLC (GB) 2010-06-10 US disclosed
EP-2173331-A1 TREATMENT OF MACULAR DEGENERATION Summit (Cambridge) Ltd. (GB) 2010-04-14 EP disclosed
WO-2008078095-A1 TREATMENT OF MACULAR DEGENERATION SUMMIT CORPORATION PLC (GB) 2008-07-03 WO disclosed
US-20050090474-A1 Methods and compositions for enhancing and inhibiting fertilization RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2005-04-28 US disclosed
WO-2003059373-A2 COMPOSITIONS AND THEIR USE FOR ENHANCING AND INHIBITING FERTILIZATION RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2003-07-24 WO disclosed
EP-1222185-A1 TETRAHYDROBENZINDOLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2002-07-17 EP disclosed
WO-2001029029-A1 TETRAHYDROBENZINDOLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-04-26 WO disclosed
US-6077840-A FOR TREATING OR PREVENTING PROGESTERONE-RELATED DISEASES, FOR HAVING AN ABORTION, OR FOR ORALLY PREVENTING CONCEPTION, BREAST CANCER, OVARIAN CANCER, HYSTEROMYOMA, ENDOMETRIOSIS, MENINGIOMA, MYELOMA, OSTEOPOROSIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-06-20 US disclosed
CN-1240426-A Novel tetrahydrobenzindolone derivatives MEIJI SEIKA KAISHA (JP) 2000-01-05 CN disclosed